methyl 2-[[3-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]benzoyl]amino]acetate CAS Name: 2-[[[3-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-pyrrolidinyl]-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]-[4-(diaminomethylideneamino)benzoyl]amino]methyl]benzoyl]amino]acetate Traditional Name: 2-[[3-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]benzoyl]amino]acetic acid methyl ester Formula: C31H33ClN6O6S MolecularWeight: 653.14832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC(=CC=C1)CN(C2CCN(C2)S(=O)(=O)C=CC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)N=C(N)N

Isomeric SMILES

COC(=O)CNC(=O)C1=CC(=CC=C1)CN(C2CCN(C2)S(=O)(=O)/C=C/C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)N=C(N)N

InChI

InChI=1S/C31H33ClN6O6S/c1-44-28(39)18-35-29(40)24-4-2-3-22(17-24)19-38(30(41)23-7-11-26(12-8-23)36-31(33)34)27-13-15-37(20-27)45(42,43)16-14-21-5-9-25(32)10-6-21/h2-12,14,16-17,27H,13,15,18-20H2,1H3,(H,35,40)(H4,33,34,36)/b16-14+