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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[(N-mesyl-3-methyl-anilino)methyl]benzamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C24H33N3O3S/c1-20-8-7-9-23(18-20)27(31(2,29)30)19-21-10-12-22(13-11-21)24(28)25-14-17-26-15-5-3-4-6-16-26/h7-13,18H,3-6,14-17,19H2,1-2H3,(H,25,28)