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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCN1CCCCCC1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCN1CCCCCC1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

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