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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[1-(2-phenoxyethanoylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[1-[(2-phenoxyacetyl)amino]ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-(2-naphthalenylsulfonylamino)-N-[1-[(1-oxo-2-phenoxyethyl)amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-(naphthalen-2-ylsulfonylamino)-N-[1-[(2-phenoxyacetyl)amino]ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(2-naphthylsulfonylamino)-N-[1-[(2-phenoxyacetyl)amino]ethyl]succinamide Formula: C34H43N7O6S MolecularWeight: 677.81352

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)COC1=CC=CC=C1)N(C2CC2)C(=O)C(CC(=O)NC(C3CCCNC3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(NC(=O)COC1=CC=CC=C1)N(C2CC2)C(=O)C(CC(=O)NC(C3CCCNC3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H43N7O6S/c1-22(38-31(43)21-47-27-11-3-2-4-12-27)41(26-14-15-26)34(44)29(19-30(42)39-32(33(35)36)25-10-7-17-37-20-25)40-48(45,46)28-16-13-23-8-5-6-9-24(23)18-28/h2-6,8-9,11-13,16,18,22,25-26,29,32,37,40H,7,10,14-15,17,19-21H2,1H3,(H3,35,36)(H,38,43)(H,39,42)