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

Systemtic Name: (1-aminocarbonyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Openeye Name: (1-carbamoyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-carbamoyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) ester IUPAC Name: (1-carbamoyl-4-methoxy-9H-pyrido[3,4-b]indol-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-carbamoyl-4-methoxy-9H-$b-carbolin-8-yl) ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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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(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-11-6-8-12(9-7-11)29(25,26)28-14-5-3-4-13-16-15(27-2)10-22-19(20(21)24)18(16)23-17(13)14/h3-10,23H,1-2H3,(H2,21,24)