3-(4-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[4-(2-oxidanylideneazepan-1-yl)butyl-propyl-amino]propanamide

Systemtic Name: 3-(4-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[4-(2-oxidanylideneazepan-1-yl)butyl-propyl-amino]propanamide Openeye Name: 3-(4-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[4-(2-oxoazepan-1-yl)butyl-propyl-amino]propanamide CAS Name: 3-(4-methylsulfonyl-1-cyclohexa-1,3-dienyl)-2-[4-(2-oxo-1-azepanyl)butyl-propylamino]propanamide IUPAC Name: 3-(4-methylsulfonylcyclohexa-1,3-dien-1-yl)-2-[4-(2-oxoazepan-1-yl)butyl-propylamino]propanamide Traditional Name: 2-[4-(2-ketoazepan-1-yl)butyl-propyl-amino]-3-(4-mesylcyclohexa-1,3-dien-1-yl)propionamide Formula: C23H39N3O4S MolecularWeight: 453.63846

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCCCCC1=O)C(CC2=CC=C(CC2)S(=O)(=O)C)C(=O)N

Isomeric SMILES

CCCN(CCCCN1CCCCCC1=O)C(CC2=CC=C(CC2)S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C23H39N3O4S/c1-3-14-25(15-7-8-17-26-16-6-4-5-9-22(26)27)21(23(24)28)18-19-10-12-20(13-11-19)31(2,29)30/h10,12,21H,3-9,11,13-18H2,1-2H3,(H2,24,28)