ethyl 4-[2-[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[1-(2-methyl-5-nitrophenyl)sulfonyl-2-benzimidazolyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[1-(2-methyl-5-nitro-phenyl)sulfonylbenzimidazol-2-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H27N5O7S2 MolecularWeight: 561.63048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H27N5O7S2/c1-3-36-24(31)27-12-10-17(11-13-27)25-22(30)15-37-23-26-19-6-4-5-7-20(19)28(23)38(34,35)21-14-18(29(32)33)9-8-16(21)2/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,25,30)