(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-nitrobenzoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-nitrobenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c1-2-25-20-11-10-16(33(30,31)24-12-6-3-7-13-24)14-18(20)23-21(25)15-32-22(27)17-8-4-5-9-19(17)26(28)29/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3