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

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-piperidinosulfonyl-benzamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H27N3O4S/c1-3-10-19-17(22)14(2)20-18(23)15-8-7-9-16(13-15)26(24,25)21-11-5-4-6-12-21/h7-9,13-14H,3-6,10-12H2,1-2H3,(H,19,22)(H,20,23)/t14-/m0/s1