3-(1H-benzimidazol-2-yl)-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]propan-1-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O4S/c1-30(28,29)18-10-5-2-7-15(18)21(27)25-14-6-13-24(25)20(26)12-11-19-22-16-8-3-4-9-17(16)23-19/h2-5,7-10H,6,11-14H2,1H3,(H,22,23)