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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[(3-chloro-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[(3-chloro-N-mesyl-anilino)methyl]benzamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCN2CCCCCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCCN2CCCCCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H30ClN3O3S/c1-31(29,30)27(22-8-6-7-21(24)17-22)18-19-9-11-20(12-10-19)23(28)25-13-16-26-14-4-2-3-5-15-26/h6-12,17H,2-5,13-16,18H2,1H3,(H,25,28)