2-[(7-carbamimidoylnaphthalen-2-yl)methyl]-3-phenyl-2-sulfamoyl-propanoic acid

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl]-3-phenyl-2-sulfamoyl-propanoic acid Openeye Name: 2-benzyl-3-(7-carbamimidoyl-2-naphthyl)-2-sulfamoyl-propanoic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl]-3-phenyl-2-sulfamoylpropanoic acid IUPAC Name: 2-benzyl-3-(7-carbamimidoylnaphthalen-2-yl)-2-sulfamoylpropanoic acid Traditional Name: 2-[(7-amidino-2-naphthyl)methyl]-3-phenyl-2-sulfamoyl-propionic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)(C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C21H21N3O4S/c22-19(23)17-9-8-16-7-6-15(10-18(16)11-17)13-21(20(25)26,29(24,27)28)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H3,22,23)(H,25,26)(H2,24,27,28)