methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonylethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)-2-phenoxysulfonyl-ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O6S/c1-20(2)16-30-17-22-18-31(26-14-13-21(15-25(22)26)29(33)36-3)19-28(24-11-7-8-12-27(24)32)38(34,35)37-23-9-5-4-6-10-23/h4-15,18,20,28,30,32H,16-17,19H2,1-3H3