(6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester IUPAC Name: (6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-cyano-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3)C=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3)C=CC(=C4)C#N

InChI

InChI=1S/C20H18N2O3S/c1-13-2-6-16(7-3-13)26(23,24)25-15-5-9-20-18(11-15)17-10-14(12-21)4-8-19(17)22-20/h2-4,6-8,10,15,22H,5,9,11H2,1H3