3-(azepan-1-ylsulfonyl)-4-methoxy-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[1-methyl-2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-keto-1-methyl-2-(propylamino)ethyl]-4-methoxy-benzamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H31N3O5S/c1-4-11-21-19(24)15(2)22-20(25)16-9-10-17(28-3)18(14-16)29(26,27)23-12-7-5-6-8-13-23/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,21,24)(H,22,25)