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

Systemtic Name: methyl 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl 1-[1-(p-tolylsulfonyl)-4-piperidyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: 1-(1-tosyl-4-piperidyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4S/c1-18-9-11-22(12-10-18)31(28,29)26-15-13-19(14-16-26)23-7-3-5-20-17-21(25(27)30-2)6-4-8-24(20)23/h3,5,7,9-12,17,19H,4,6,8,13-16H2,1-2H3