N-[2-(azepan-1-yl)ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-4-19(20(24)21-13-16-22-14-7-5-6-8-15-22)23(27(3,25)26)18-11-9-17(2)10-12-18/h9-12,19H,4-8,13-16H2,1-3H3,(H,21,24)