4-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]thio]-3-nitro-benzamide Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N4O6S2/c1-14-5-7-16(12-19(14)33(30,31)24-9-3-2-4-10-24)23-20(26)13-32-18-8-6-15(21(22)27)11-17(18)25(28)29/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,22,27)(H,23,26)