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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[(2-methylphenyl)methyl-methylsulfonyl-amino]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[methylsulfonyl(o-tolylmethyl)amino]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[mesyl-(2-methylbenzyl)amino]benzamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C25H35N3O3S/c1-21-10-5-6-11-23(21)20-28(32(2,30)31)24-14-12-22(13-15-24)25(29)26-16-9-19-27-17-7-3-4-8-18-27/h5-6,10-15H,3-4,7-9,16-20H2,1-2H3,(H,26,29)