(3S)-2-(3-carbamimidoylphenyl)carbonyl-6-oxidanyl-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3-carbamimidoylphenyl)carbonyl-6-oxidanyl-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-carbamimidoylbenzoyl)-6-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-carbamimidoylphenyl)-oxomethyl]-6-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-carbamimidoylbenzoyl)-6-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-amidinobenzoyl)-6-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H27N5O5S MolecularWeight: 569.63088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=C(C=C2)O)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=C1C=C(C=C2)O)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/C30H27N5O5S/c31-28(32)19-4-3-5-20(14-19)30(38)35-17-21-10-13-24(36)15-22(21)16-26(35)29(37)34-23-11-8-18(9-12-23)25-6-1-2-7-27(25)41(33,39)40/h1-15,26,36H,16-17H2,(H3,31,32)(H,34,37)(H2,33,39,40)/t26-/m0/s1