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

Systemtic Name: (1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Openeye Name: (4-methoxy-1-vinyl-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) ester IUPAC Name: (1-ethenyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-methoxy-1-vinyl-9H-$b-carbolin-8-yl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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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=C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-4-16-21-19(18(26-3)12-22-16)15-6-5-7-17(20(15)23-21)27-28(24,25)14-10-8-13(2)9-11-14/h4-12,23H,1H2,2-3H3