methyl 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propanoylamino]benzoic acid methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H30N4O5S/c1-3-14-29-22-11-10-20(35(32,33)28-15-4-5-16-28)17-21(22)27-23(29)12-13-24(30)26-19-8-6-18(7-9-19)25(31)34-2/h6-11,17H,3-5,12-16H2,1-2H3,(H,26,30)