1,3-diethyl-5-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzimidazol-2-one

Systemtic Name: 1,3-diethyl-5-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-benzimidazol-2-one Openeye Name: 1,3-diethyl-5-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-benzimidazol-2-one CAS Name: 1,3-diethyl-5-[[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-2-benzimidazolone IUPAC Name: 1,3-diethyl-5-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzimidazol-2-one Traditional Name: 1,3-diethyl-5-[(3S)-3-methyl-4-(m-tolyl)piperazino]sulfonyl-benzimidazol-2-one Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN([C@H](C3)C)C4=CC=CC(=C4)C)N(C1=O)CC

InChI

InChI=1S/C23H30N4O3S/c1-5-25-21-11-10-20(15-22(21)26(6-2)23(25)28)31(29,30)24-12-13-27(18(4)16-24)19-9-7-8-17(3)14-19/h7-11,14-15,18H,5-6,12-13,16H2,1-4H3/t18-/m0/s1