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

Systemtic Name: (1-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Openeye Name: (1-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) ester IUPAC Name: (1-ethyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ethyl-4-methoxy-9H-$b-carbolin-8-yl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C2=C1NC3=C2C=CC=C3OS(=O)(=O)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCC1=NC=C(C2=C1NC3=C2C=CC=C3OS(=O)(=O)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C21H20N2O4S/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/h5-12,23H,4H2,1-3H3