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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 3-methylbenzoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-3-26-21-11-10-19(31(28,29)25-12-5-4-6-13-25)15-20(21)24-22(26)16-30-23(27)18-9-7-8-17(2)14-18/h7-11,14-15H,3-6,12-13,16H2,1-2H3