1-carbamimidoyl-2-naphthalen-2-ylsulfonyl-1-(piperidin-3-ylmethyl)-3,4-dihydroisoquinoline-3-carboxamide

Systemtic Name: 1-carbamimidoyl-2-naphthalen-2-ylsulfonyl-1-(piperidin-3-ylmethyl)-3,4-dihydroisoquinoline-3-carboxamide Openeye Name: 1-carbamimidoyl-2-(2-naphthylsulfonyl)-1-(3-piperidylmethyl)-3,4-dihydroisoquinoline-3-carboxamide CAS Name: 1-carbamimidoyl-2-(2-naphthalenylsulfonyl)-1-(3-piperidinylmethyl)-3,4-dihydroisoquinoline-3-carboxamide IUPAC Name: 1-carbamimidoyl-2-naphthalen-2-ylsulfonyl-1-(piperidin-3-ylmethyl)-3,4-dihydroisoquinoline-3-carboxamide Traditional Name: 1-amidino-2-(2-naphthylsulfonyl)-1-(3-piperidylmethyl)-3,4-dihydroisoquinoline-3-carboxamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CC2(C3=CC=CC=C3CC(N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)N)C(=N)N

Isomeric SMILES

C1CC(CNC1)CC2(C3=CC=CC=C3CC(N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)N)C(=N)N

InChI

InChI=1S/C27H31N5O3S/c28-25(33)24-15-21-9-3-4-10-23(21)27(26(29)30,16-18-6-5-13-31-17-18)32(24)36(34,35)22-12-11-19-7-1-2-8-20(19)14-22/h1-4,7-12,14,18,24,31H,5-6,13,15-17H2,(H2,28,33)(H3,29,30)