N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-amino-2-imino-1-piperidin-3-ylethyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-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:

C1CC(CNC1)C(C(=N)N)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

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