(3S)-2-(3-carbamimidoylphenyl)carbonyl-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3-carbamimidoylphenyl)carbonyl-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-carbamimidoylbenzoyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-carbamimidoylphenyl)-oxomethyl]-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-carbamimidoylbenzoyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-amidinobenzoyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H27N5O4S MolecularWeight: 553.63148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC(=C3)C(=N)N)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC=CC(=C3)C(=N)N)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C30H27N5O4S/c31-28(32)21-8-5-9-22(16-21)30(37)35-18-23-7-2-1-6-20(23)17-26(35)29(36)34-24-14-12-19(13-15-24)25-10-3-4-11-27(25)40(33,38)39/h1-16,26H,17-18H2,(H3,31,32)(H,34,36)(H2,33,38,39)/t26-/m0/s1