1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)sulfonyl-benzimidazol-2-one

Systemtic Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-(4-nitrophenyl)sulfonyl-benzimidazol-2-one Openeye Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-nitrophenyl)sulfonyl-benzimidazol-2-one CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-(4-nitrophenyl)sulfonyl-2-benzimidazolone IUPAC Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-(4-nitrophenyl)sulfonylbenzimidazol-2-one Traditional Name: 1-[2-keto-2-(4-piperonylpiperazino)ethyl]-3-nosyl-benzimidazol-2-one Formula: C27H25N5O8S MolecularWeight: 579.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C5=CC=CC=C5N(C4=O)S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C5=CC=CC=C5N(C4=O)S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O8S/c33-26(29-13-11-28(12-14-29)16-19-5-10-24-25(15-19)40-18-39-24)17-30-22-3-1-2-4-23(22)31(27(30)34)41(37,38)21-8-6-20(7-9-21)32(35)36/h1-10,15H,11-14,16-18H2