diethyl-[(2S)-1-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(4-methoxy-3-morpholinosulfonyl-benzoyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(4-methoxy-3-morpholinosulfonyl-benzoyl)amino]ethyl]-diethyl-ammonium Formula: C25H36N3O5S+ MolecularWeight: 490.63544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C25H35N3O5S/c1-4-27(5-2)22(17-20-9-7-6-8-10-20)19-26-25(29)21-11-12-23(32-3)24(18-21)34(30,31)28-13-15-33-16-14-28/h6-12,18,22H,4-5,13-17,19H2,1-3H3,(H,26,29)/p+1/t22-/m0/s1