N-[(2R)-2-(dimethylamino)-3-methyl-butyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(dimethylamino)-3-methyl-butyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2R)-2-(dimethylamino)-3-methyl-butyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(2R)-2-(dimethylamino)-3-methyl-butyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)N(C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)N(C)C

InChI

InChI=1S/C18H28N4O4S/c1-13(2)16(21(3)4)11-20-18(24)14-6-5-7-15(10-14)27(25,26)22-9-8-19-17(23)12-22/h5-7,10,13,16H,8-9,11-12H2,1-4H3,(H,19,23)(H,20,24)/t16-/m0/s1