methyl 2-(4-acetamidophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(4-acetamidophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(4-acetamidophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-(4-acetamidophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-acetamidophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(4-acetamidophenyl)sulfonyl-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H21N3O5S/c1-13(25)22-15-4-6-16(7-5-15)30(27,28)24-10-9-20-18(12-24)17-11-14(21(26)29-2)3-8-19(17)23-20/h3-8,11,23H,9-10,12H2,1-2H3,(H,22,25)