N-[2-(azepan-1-yl)ethyl]-4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCCN2CCCCCC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCCN2CCCCCC2)S(=O)(=O)C)C

InChI

InChI=1S/C21H35N3O3S/c1-18-10-11-20(17-19(18)2)24(28(3,26)27)15-8-9-21(25)22-12-16-23-13-6-4-5-7-14-23/h10-11,17H,4-9,12-16H2,1-3H3,(H,22,25)