(7,8-dimethoxy-5H-pyrido[4,3-b]indol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (7,8-dimethoxy-5H-pyrido[4,3-b]indol-1-yl) 4-methylbenzenesulfonate Openeye Name: (7,8-dimethoxy-5H-pyrido[4,3-b]indol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7,8-dimethoxy-5H-pyrido[4,3-b]indol-1-yl) ester IUPAC Name: (7,8-dimethoxy-5H-pyrido[4,3-b]indol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7,8-dimethoxy-5H-pyrid[4,3-b]indol-1-yl) ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC=CC3=C2C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC=CC3=C2C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C20H18N2O5S/c1-12-4-6-13(7-5-12)28(23,24)27-20-19-14-10-17(25-2)18(26-3)11-16(14)22-15(19)8-9-21-20/h4-11,22H,1-3H3