N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(pyridin-3-ylcarbonylamino)ethyl]butanediamide

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(pyridin-3-ylcarbonylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-(2-naphthalenylsulfonylamino)-N-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-(2-nicotinamidoethyl)succinamide Formula: C32H40N8O5S MolecularWeight: 648.7756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=CN=CC=C2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=CN=CC=C2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H40N8O5S/c33-30(34)29(23-7-3-13-35-19-23)38-28(41)18-27(39-46(44,45)26-12-9-21-5-1-2-6-22(21)17-26)32(43)40(25-10-11-25)16-15-37-31(42)24-8-4-14-36-20-24/h1-2,4-6,8-9,12,14,17,20,23,25,27,29,35,39H,3,7,10-11,13,15-16,18-19H2,(H3,33,34)(H,37,42)(H,38,41)