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

Systemtic Name: N-(3-chlorophenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(3-chlorophenyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butanamide CAS Name: N-(3-chlorophenyl)-4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(3-chlorophenyl)-4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(3-chlorophenyl)-4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butyramide Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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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=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN4O6S/c1-15-5-6-18(26(29)30)14-19(15)33(31,32)25-11-9-24(10-12-25)21(28)8-7-20(27)23-17-4-2-3-16(22)13-17/h2-6,13-14H,7-12H2,1H3,(H,23,27)