3H-benzimidazol-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4)C

InChI

InChI=1S/C20H22N4O3S/c1-14-3-6-19(15(2)11-14)28(26,27)24-9-7-23(8-10-24)20(25)16-4-5-17-18(12-16)22-13-21-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)