N-[(4-carbamimidoylphenyl)methyl]-2-[6-methyl-2-oxidanyl-3-(phenylsulfonylamino)phenyl]ethanamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-methyl-2-oxidanyl-3-(phenylsulfonylamino)phenyl]ethanamide hydrochloride Openeye Name: 2-[3-(benzenesulfonamido)-2-hydroxy-6-methyl-phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide hydrochloride CAS Name: 2-[3-(benzenesulfonamido)-2-hydroxy-6-methylphenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide hydrochloride IUPAC Name: 2-[3-(benzenesulfonamido)-2-hydroxy-6-methylphenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-[3-(benzenesulfonamido)-2-hydroxy-6-methyl-phenyl]acetamide hydrochloride Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)O)CC(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)O)CC(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C23H24N4O4S.ClH/c1-15-7-12-20(27-32(30,31)18-5-3-2-4-6-18)22(29)19(15)13-21(28)26-14-16-8-10-17(11-9-16)23(24)25;/h2-12,27,29H,13-14H2,1H3,(H3,24,25)(H,26,28);1H