methyl 3-[(2-methylpropylamino)methyl]-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C27H36N2O4S/c1-19(2)15-28-16-23-17-29(26-12-11-22(14-25(23)26)27(30)33-5)18-24(34(31,32)20(3)4)13-21-9-7-6-8-10-21/h6-12,14,17,19-20,24,28H,13,15-16,18H2,1-5H3