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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(5-chloro-2-pyridyl)-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butanamide CAS Name: N-(5-chloro-2-pyridinyl)-4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(5-chloropyridin-2-yl)-4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(5-chloro-2-pyridyl)-4-keto-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butyramide Formula: C20H22ClN5O6S MolecularWeight: 495.93658

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O6S/c1-14-2-4-16(26(29)30)12-17(14)33(31,32)25-10-8-24(9-11-25)20(28)7-6-19(27)23-18-5-3-15(21)13-22-18/h2-5,12-13H,6-11H2,1H3,(H,22,23,27)