N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-oxidanyl-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: 2-(benzylsulfonylamino)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: 2-(benzylsulfonylamino)-N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxypropanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-2-(benzylsulfonylamino)-3-hydroxy-propionamide Formula: C21H27N5O5S MolecularWeight: 461.53458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CO)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CO)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)