1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Openeye Name: 3-(2,4-dimethylphenyl)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-3-(2,4-dimethylphenyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Traditional Name: 3-(2,4-dimethylphenyl)-1-(4-indan-5-ylsulfonylpiperazino)propan-1-one Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C

InChI

InChI=1S/C24H30N2O3S/c1-18-6-7-20(19(2)16-18)9-11-24(27)25-12-14-26(15-13-25)30(28,29)23-10-8-21-4-3-5-22(21)17-23/h6-8,10,16-17H,3-5,9,11-15H2,1-2H3