N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[benzyl(p-tolylsulfonyl)amino]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[benzyl-(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[benzyl(tosyl)amino]benzamide Formula: C30H37N3O3S MolecularWeight: 519.69808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCCCN4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCCCN4CCCCCC4

InChI

InChI=1S/C30H37N3O3S/c1-25-16-18-27(19-17-25)37(35,36)33(24-26-12-5-4-6-13-26)29-15-8-7-14-28(29)30(34)31-20-11-23-32-21-9-2-3-10-22-32/h4-8,12-19H,2-3,9-11,20-24H2,1H3,(H,31,34)