3-(azepan-1-ylsulfonyl)-N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-[2-(methylamino)-2-oxo-ethyl]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-[2-keto-2-(methylamino)ethyl]phenyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O4S/c1-23-21(26)16-17-9-4-5-12-20(17)24-22(27)18-10-8-11-19(15-18)30(28,29)25-13-6-2-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,26)(H,24,27)