N-[3-(azepan-1-yl)propyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[3-(1-azepanyl)propyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C22H37N3O3S/c1-19-11-12-20(2)21(18-19)25(29(3,27)28)17-8-10-22(26)23-13-9-16-24-14-6-4-5-7-15-24/h11-12,18H,4-10,13-17H2,1-3H3,(H,23,26)