(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-but-2-enoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-but-2-enoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-3-8-19(23)26-14-18-20-16-13-15(9-10-17(16)22(18)4-2)27(24,25)21-11-6-5-7-12-21/h3,8-10,13H,4-7,11-12,14H2,1-2H3/b8-3+