3-(azepan-1-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diisopropylamino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diisopropylamino)ethyl]benzamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)C(C)C

InChI

InChI=1S/C21H35N3O3S/c1-17(2)24(18(3)4)15-12-22-21(25)19-10-9-11-20(16-19)28(26,27)23-13-7-5-6-8-14-23/h9-11,16-18H,5-8,12-15H2,1-4H3,(H,22,25)