(phenylmethyl) 3-methylsulfonyl-9H-pyrido[3,4-b]indole-6-carboxylate

Systemtic Name: (phenylmethyl) 3-methylsulfonyl-9H-pyrido[3,4-b]indole-6-carboxylate Openeye Name: benzyl 3-methylsulfonyl-9H-pyrido[3,4-b]indole-6-carboxylate CAS Name: 3-methylsulfonyl-9H-pyrido[3,4-b]indole-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methylsulfonyl-9H-pyrido[3,4-b]indole-6-carboxylate Traditional Name: 3-mesyl-9H-$b-carboline-6-carboxylic acid benzyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O4S/c1-27(24,25)19-10-16-15-9-14(7-8-17(15)22-18(16)11-21-19)20(23)26-12-13-5-3-2-4-6-13/h2-11,22H,12H2,1H3