methyl 3-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 3-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate Openeye Name: methyl 3-[3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoylamino]benzoate CAS Name: 3-[[3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzoate Traditional Name: 3-[3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propanoylamino]benzoic acid methyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C24H28N4O5S/c1-27-21-10-9-19(34(31,32)28-13-4-3-5-14-28)16-20(21)26-22(27)11-12-23(29)25-18-8-6-7-17(15-18)24(30)33-2/h6-10,15-16H,3-5,11-14H2,1-2H3,(H,25,29)