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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H31N5O3S/c1-30(23-11-6-14-31(18-23)27(28)29)26(33)25-16-21-9-4-5-10-22(21)17-32(25)36(34,35)24-13-12-19-7-2-3-8-20(19)15-24/h2-5,7-10,12-13,15,23,25H,6,11,14,16-18H2,1H3,(H3,28,29)