[3-(1-benzamido-3-ethoxy-3-oxidanylidene-propyl)phenyl]-[bis(azanyl)methylideneamino]-[(2-methylpropan-2-yl)oxycarbonyl]-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-azanium

Systemtic Name: [3-(1-benzamido-3-ethoxy-3-oxidanylidene-propyl)phenyl]-[bis(azanyl)methylideneamino]-[(2-methylpropan-2-yl)oxycarbonyl]-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonyl-azanium Openeye Name: [3-(1-benzamido-3-ethoxy-3-oxo-propyl)phenyl]-tert-butoxycarbonyl-(3-tert-butoxycarbonylphenyl)sulfonyl-guanidino-ammonium CAS Name: [3-(1-benzamido-3-ethoxy-3-oxopropyl)phenyl]-(diaminomethylideneamino)-[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]sulfonylammonium IUPAC Name: [3-(1-benzamido-3-ethoxy-3-oxopropyl)phenyl]-(diaminomethylideneamino)-[(2-methylpropan-2-yl)oxycarbonyl]-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonylazanium Traditional Name: [3-(1-benzamido-3-ethoxy-3-keto-propyl)phenyl]-tert-butoxycarbonyl-(3-tert-butoxycarbonylphenyl)sulfonyl-guanidino-ammonium Formula: C35H44N5O9S+ MolecularWeight: 710.81696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)[N+](C(=O)OC(C)(C)C)(N=C(N)N)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)[N+](C(=O)OC(C)(C)C)(N=C(N)N)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C35H43N5O9S/c1-8-47-29(41)22-28(38-30(42)23-14-10-9-11-15-23)24-16-12-18-26(20-24)40(39-32(36)37,33(44)49-35(5,6)7)50(45,46)27-19-13-17-25(21-27)31(43)48-34(2,3)4/h9-21,28H,8,22H2,1-7H3,(H4-,36,37,38,39,42)/p+1