N-[3-(azepan-1-yl)propyl]-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C26H37N3O3S/c1-21-9-14-25(19-22(21)2)29(33(3,31)32)20-23-10-12-24(13-11-23)26(30)27-15-8-18-28-16-6-4-5-7-17-28/h9-14,19H,4-8,15-18,20H2,1-3H3,(H,27,30)