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

Systemtic Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: (3,5-dimethylphenyl)-(4-indan-5-ylsulfonylpiperazin-1-yl)methanone CAS Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: (3,5-dimethylphenyl)-(4-indan-5-ylsulfonylpiperazino)methanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-16-12-17(2)14-20(13-16)22(25)23-8-10-24(11-9-23)28(26,27)21-7-6-18-4-3-5-19(18)15-21/h6-7,12-15H,3-5,8-11H2,1-2H3