N-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]-2-[2-oxidanylidene-6-(phenylmethyl)-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]propanamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]phenyl]methyl]-2-[2-oxidanylidene-6-(phenylmethyl)-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]propanamide Openeye Name: 2-[6-benzyl-3-(benzylsulfonylamino)-2-oxo-1-pyridyl]-N-[(4-guanidinophenyl)methyl]propanamide CAS Name: N-[[4-(diaminomethylideneamino)phenyl]methyl]-2-[2-oxo-6-(phenylmethyl)-3-[(phenylmethyl)sulfonylamino]-1-pyridinyl]propanamide IUPAC Name: 2-[6-benzyl-3-(benzylsulfonylamino)-2-oxopyridin-1-yl]-N-[[4-(diaminomethylideneamino)phenyl]methyl]propanamide Traditional Name: 2-[6-benzyl-3-(benzylsulfonylamino)-2-keto-1-pyridyl]-N-(4-guanidinobenzyl)propionamide Formula: C30H32N6O4S MolecularWeight: 572.67788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)N=C(N)N)N2C(=CC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)N=C(N)N)N2C(=CC=C(C2=O)NS(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H32N6O4S/c1-21(28(37)33-19-23-12-14-25(15-13-23)34-30(31)32)36-26(18-22-8-4-2-5-9-22)16-17-27(29(36)38)35-41(39,40)20-24-10-6-3-7-11-24/h2-17,21,35H,18-20H2,1H3,(H,33,37)(H4,31,32,34)