methyl 3-[[(2-hydroxyphenyl)amino]methyl]-1-[2-(phenylsulfonyl)propyl]indole-5-carboxylate

Systemtic Name: methyl 3-[[(2-hydroxyphenyl)amino]methyl]-1-[2-(phenylsulfonyl)propyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)propyl]-3-[(2-hydroxyanilino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)propyl]-3-[(2-hydroxyanilino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)propyl]-3-[(2-hydroxyanilino)methyl]indole-5-carboxylate Traditional Name: 1-(2-besylpropyl)-3-[(2-hydroxyanilino)methyl]indole-5-carboxylic acid methyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-18(34(31,32)21-8-4-3-5-9-21)16-28-17-20(15-27-23-10-6-7-11-25(23)29)22-14-19(26(30)33-2)12-13-24(22)28/h3-14,17-18,27,29H,15-16H2,1-2H3