4-[[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[3-(azepan-1-yl)propylamino]-2-oxo-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[3-(1-azepanyl)propylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[3-(azepan-1-yl)propylamino]-2-keto-ethyl]-mesyl-amino]-N,N-dimethyl-benzamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C21H34N4O4S/c1-23(2)21(27)18-9-11-19(12-10-18)25(30(3,28)29)17-20(26)22-13-8-16-24-14-6-4-5-7-15-24/h9-12H,4-8,13-17H2,1-3H3,(H,22,26)