N-[2-(azepan-1-yl)ethyl]-4-methyl-3-(phenylsulfonylamino)benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-methyl-3-(phenylsulfonylamino)benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-(benzenesulfonamido)-4-methyl-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-(benzenesulfonamido)-4-methylbenzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-(benzenesulfonamido)-4-methylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-(benzenesulfonamido)-4-methyl-benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCN2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCN2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-18-11-12-19(22(26)23-13-16-25-14-7-2-3-8-15-25)17-21(18)24-29(27,28)20-9-5-4-6-10-20/h4-6,9-12,17,24H,2-3,7-8,13-16H2,1H3,(H,23,26)