1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid Openeye Name: 1-[1-(p-tolylsulfonyl)-4-piperidyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid Traditional Name: 1-(1-tosyl-4-piperidyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid Formula: C24H27NO4S MolecularWeight: 425.54048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=CC4=C3CCCC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CC=CC4=C3CCCC(=C4)C(=O)O

InChI

InChI=1S/C24H27NO4S/c1-17-8-10-21(11-9-17)30(28,29)25-14-12-18(13-15-25)22-6-2-4-19-16-20(24(26)27)5-3-7-23(19)22/h2,4,6,8-11,16,18H,3,5,7,12-15H2,1H3,(H,26,27)