tert-butyl 3-(4-cyanophenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: tert-butyl 3-(4-cyanophenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: tert-butyl 3-(4-cyanophenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-(4-cyanophenyl)-3-[1-methyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-cyanophenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(4-cyanophenyl)-3-(1-methyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionic acid tert-butyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)C#N)C2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)C#N)C2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H30N4O4S/c1-26(2,3)34-24(31)16-21(19-9-7-18(17-27)8-10-19)25-28-22-15-20(11-12-23(22)29(25)4)35(32,33)30-13-5-6-14-30/h7-12,15,21H,5-6,13-14,16H2,1-4H3