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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]benzamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H29N3O4S/c1-3-11-20-18(23)15(2)21-19(24)16-9-8-10-17(14-16)27(25,26)22-12-6-4-5-7-13-22/h8-10,14-15H,3-7,11-13H2,1-2H3,(H,20,23)(H,21,24)/t15-/m0/s1