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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-ethyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]indole-5-carboxylic acid methyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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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)CNCC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C29H32N2O5S/c1-20(2)37(34,35)28(24-11-7-8-12-27(24)32)19-31-18-23(17-30-16-21-9-5-4-6-10-21)25-15-22(29(33)36-3)13-14-26(25)31/h4-15,18,20,28,30,32H,16-17,19H2,1-3H3