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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-(naphthalen-2-ylsulfonylamino)butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-(2-morpholino-2-oxo-ethyl)-2-(2-naphthylsulfonylamino)butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-N-[2-(4-morpholinyl)-2-oxoethyl]-2-(2-naphthalenylsulfonylamino)butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(naphthalen-2-ylsulfonylamino)butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-(2-keto-2-morpholino-ethyl)-2-(2-naphthylsulfonylamino)succinamide Formula: C30H41N7O6S MolecularWeight: 627.75484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CC(=O)N2CCOCC2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CC(=O)N2CCOCC2)C3CC3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H41N7O6S/c31-29(32)28(22-6-3-11-33-18-22)34-26(38)17-25(35-44(41,42)24-10-7-20-4-1-2-5-21(20)16-24)30(40)37(23-8-9-23)19-27(39)36-12-14-43-15-13-36/h1-2,4-5,7,10,16,22-23,25,28,33,35H,3,6,8-9,11-15,17-19H2,(H3,31,32)(H,34,38)