methyl 2-butyl-4-methylidene-9-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indole-6-carboxylate

Systemtic Name: methyl 2-butyl-4-methylidene-9-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indole-6-carboxylate Openeye Name: methyl 2-butyl-4-methylene-9-(p-tolylsulfonyl)-1,3-dihydropyrido[3,4-b]indole-6-carboxylate CAS Name: 2-butyl-4-methylene-9-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-4-methylidene-9-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indole-6-carboxylate Traditional Name: 2-butyl-4-methylene-9-tosyl-1,3-dihydro-$b-carboline-6-carboxylic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=C)C2=C(C1)N(C3=C2C=C(C=C3)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1CC(=C)C2=C(C1)N(C3=C2C=C(C=C3)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N2O4S/c1-5-6-13-26-15-18(3)24-21-14-19(25(28)31-4)9-12-22(21)27(23(24)16-26)32(29,30)20-10-7-17(2)8-11-20/h7-12,14H,3,5-6,13,15-16H2,1-2,4H3