2-(2-ethylbenzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-ethyl-1-benzimidazolyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-ethylbenzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-2-20-22-18-8-3-4-9-19(18)25(20)15-21(27)23-10-12-24(13-11-23)32(30,31)17-7-5-6-16(14-17)26(28)29/h3-9,14H,2,10-13,15H2,1H3