ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1-(phenylsulfonyl)indole-2-carboxylate

Systemtic Name: ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1-(phenylsulfonyl)indole-2-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-[(3,4-dimethoxyphenyl)methyl]indole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-[(3,4-dimethoxyphenyl)methyl]indole-2-carboxylate Traditional Name: 1-besyl-3-veratryl-indole-2-carboxylic acid ethyl ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H25NO6S/c1-4-33-26(28)25-21(16-18-14-15-23(31-2)24(17-18)32-3)20-12-8-9-13-22(20)27(25)34(29,30)19-10-6-5-7-11-19/h5-15,17H,4,16H2,1-3H3