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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-3-(p-tolyl)propan-1-one CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-3-(p-tolyl)propan-1-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-18-5-7-19(8-6-18)9-12-23(26)24-13-15-25(16-14-24)29(27,28)22-11-10-20-3-2-4-21(20)17-22/h5-8,10-11,17H,2-4,9,12-16H2,1H3