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

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H25N3O4S/c1-3-9-18-16(21)13(2)19-17(22)14-7-6-8-15(12-14)25(23,24)20-10-4-5-11-20/h6-8,12-13H,3-5,9-11H2,1-2H3,(H,18,21)(H,19,22)/t13-/m0/s1