(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O6S/c1-2-27-22-12-11-19(35(32,33)26-14-6-3-7-15-26)16-20(22)25-23(27)17-34-24(29)13-10-18-8-4-5-9-21(18)28(30)31/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3/b13-10+