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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonyl-ethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-hydroxyphenyl)-2-propan-2-ylsulfonylethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-[2-(2-hydroxyphenyl)-2-isopropylsulfonyl-ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c1-17(2)13-27-14-20-15-28(23-11-10-19(12-22(20)23)26(30)33-5)16-25(34(31,32)18(3)4)21-8-6-7-9-24(21)29/h6-12,15,17-18,25,27,29H,13-14,16H2,1-5H3