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

Systemtic Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanamide Openeye Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-2-(2-naphthylsulfonylamino)propanamide CAS Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-[1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-3-hydroxy-2-(2-naphthylsulfonylamino)propionamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H27N5O5S/c1-15(23(31)27-13-16-6-8-18(9-7-16)22(25)26)28-24(32)21(14-30)29-35(33,34)20-11-10-17-4-2-3-5-19(17)12-20/h2-12,15,21,29-30H,13-14H2,1H3,(H3,25,26)(H,27,31)(H,28,32)