5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid

Systemtic Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid Openeye Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid CAS Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid IUPAC Name: 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid Traditional Name: 5-(3-esylphenyl)-3,8-dimethyl-9H-pyrid[2,3-b]indole-7-carboxylic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=CC(=CN=C4N3)C)C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=CC(=CN=C4N3)C)C)C(=O)O

InChI

InChI=1S/C22H20N2O4S/c1-4-29(27,28)15-7-5-6-14(9-15)17-10-16(22(25)26)13(3)20-19(17)18-8-12(2)11-23-21(18)24-20/h5-11H,4H2,1-3H3,(H,23,24)(H,25,26)