4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-(1,3-thiazol-2-yl)butanamide

Systemtic Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-(1,3-thiazol-2-yl)butanamide Openeye Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-N-thiazol-2-yl-butanamide CAS Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxo-N-(2-thiazolyl)butanamide IUPAC Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide Traditional Name: 4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-N-thiazol-2-yl-butyramide Formula: C18H21N5O6S2 MolecularWeight: 467.51924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=NC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=NC=CS3

InChI

InChI=1S/C18H21N5O6S2/c1-13-2-3-14(23(26)27)12-15(13)31(28,29)22-9-7-21(8-10-22)17(25)5-4-16(24)20-18-19-6-11-30-18/h2-3,6,11-12H,4-5,7-10H2,1H3,(H,19,20,24)