(2R)-3-(4-acetamidophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide chloride

Systemtic Name: (2R)-3-(4-acetamidophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide chloride Openeye Name: (2R)-3-(4-acetamidophenyl)-N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)propanamide chloride CAS Name: (2R)-3-(4-acetamidophenyl)-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonylamino)propanamide chloride IUPAC Name: (2R)-3-(4-acetamidophenyl)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(naphthalen-2-ylsulfonylamino)propanamide chloride Traditional Name: (2R)-3-(4-acetamidophenyl)-N-[(1-amidino-3-piperidyl)methyl]-2-(2-naphthylsulfonylamino)propionamide chloride Formula: C28H34ClN6O4S- MolecularWeight: 586.12536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[C@H](C(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C28H34N6O4S.ClH/c1-19(35)32-24-11-8-20(9-12-24)15-26(27(36)31-17-21-5-4-14-34(18-21)28(29)30)33-39(37,38)25-13-10-22-6-2-3-7-23(22)16-25;/h2-3,6-13,16,21,26,33H,4-5,14-15,17-18H2,1H3,(H3,29,30)(H,31,36)(H,32,35);1H/p-1/t21?,26-;/m1./s1