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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O6S/c1-2-28-21-9-8-19(35(30,31)27-12-4-3-5-13-27)15-20(21)26-24(28)16-32-25(29)11-7-18-6-10-22-23(14-18)34-17-33-22/h6-11,14-15H,2-5,12-13,16-17H2,1H3/b11-7+