methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)C3=CC=CC=C3O

InChI

InChI=1S/C23H28N2O5S/c1-15(2)31(28,29)22(18-7-5-6-8-21(18)26)14-25-13-17(12-24-3)19-11-16(23(27)30-4)9-10-20(19)25/h5-11,13,15,22,24,26H,12,14H2,1-4H3