(1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Openeye Name: (1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) ester IUPAC Name: (1-cyano-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-cyano-4-methoxy-9H-$b-carbolin-8-yl) ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2NC4=C3C(=CN=C4C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2NC4=C3C(=CN=C4C#N)OC

InChI

InChI=1S/C20H15N3O4S/c1-12-6-8-13(9-7-12)28(24,25)27-16-5-3-4-14-18-17(26-2)11-22-15(10-21)20(18)23-19(14)16/h3-9,11,23H,1-2H3