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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-ethyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]indole-5-carboxylic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C28H30N2O5S/c1-19(2)36(33,34)27(23-11-7-8-12-26(23)31)18-30-17-21(16-29-22-9-5-4-6-10-22)24-15-20(28(32)35-3)13-14-25(24)30/h4-15,17,19,27,29,31H,16,18H2,1-3H3