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

Systemtic Name: N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-1-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-1-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-1-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-(2-amino-2-imino-1-piperidin-3-ylethyl)-1-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-1-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)N2CCC3=CC=CC=C3C2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)N2CCC3=CC=CC=C3C2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

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