(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-phenylpropanoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-phenylpropanoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S/c1-2-27-22-13-12-20(32(29,30)26-15-7-4-8-16-26)17-21(22)25-23(27)18-31-24(28)14-11-19-9-5-3-6-10-19/h3,5-6,9-10,12-13,17H,2,4,7-8,11,14-16,18H2,1H3