N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H31N5O3S MolecularWeight: 505.63174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

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