[9-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: (9-benzyl-1,2,3,4-tetrahydrocarbazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: (9-benzyl-1,2,3,4-tetrahydrocarbazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-benzyl-1,2,3,4-tetrahydrocarbazol-3-yl) ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C26H25NO3S/c1-19-11-14-22(15-12-19)31(28,29)30-21-13-16-26-24(17-21)23-9-5-6-10-25(23)27(26)18-20-7-3-2-4-8-20/h2-12,14-15,21H,13,16-18H2,1H3