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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-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-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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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)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)/C=C/C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H29N3O5S/c1-3-28-23-12-11-21(34(30,31)27-14-5-4-6-15-27)17-22(23)26-24(28)18-33-25(29)13-10-19-8-7-9-20(16-19)32-2/h7-13,16-17H,3-6,14-15,18H2,1-2H3/b13-10+