N'-(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-oxidanylidenebutyl)butanediamide hydrochloride

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-oxidanylidenebutyl)butanediamide hydrochloride Openeye Name: N'-[2-amino-2-imino-1-(4-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-(3-oxobutyl)butanediamide hydrochloride CAS Name: N'-[2-amino-2-imino-1-(4-piperidinyl)ethyl]-N-cyclopropyl-2-(2-naphthalenylsulfonylamino)-N-(3-oxobutyl)butanediamide hydrochloride IUPAC Name: N'-(2-amino-2-imino-1-piperidin-4-ylethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-oxobutyl)butanediamide hydrochloride Traditional Name: N'-[2-amino-2-imino-1-(4-piperidyl)ethyl]-N-cyclopropyl-N-(3-ketobutyl)-2-(2-naphthylsulfonylamino)succinamide hydrochloride Formula: C28H39ClN6O5S MolecularWeight: 607.16446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN(C1CC1)C(=O)C(CC(=O)NC(C2CCNCC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

CC(=O)CCN(C1CC1)C(=O)C(CC(=O)NC(C2CCNCC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C28H38N6O5S.ClH/c1-18(35)12-15-34(22-7-8-22)28(37)24(17-25(36)32-26(27(29)30)20-10-13-31-14-11-20)33-40(38,39)23-9-6-19-4-2-3-5-21(19)16-23;/h2-6,9,16,20,22,24,26,31,33H,7-8,10-15,17H2,1H3,(H3,29,30)(H,32,36);1H