ethyl 4-[2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[1-(3-nitrophenyl)sulfonyl-2-benzimidazolyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[1-(3-nitrophenyl)sulfonylbenzimidazol-2-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H25N5O7S2 MolecularWeight: 547.6039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O7S2/c1-2-35-23(30)26-12-10-16(11-13-26)24-21(29)15-36-22-25-19-8-3-4-9-20(19)27(22)37(33,34)18-7-5-6-17(14-18)28(31)32/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,29)