methyl 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylbutyl)indole-5-carboxylate

Systemtic Name: methyl 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylbutyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonylbutyl)-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylbutyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonylbutyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)S(=O)(=O)C(C)C

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)S(=O)(=O)C(C)C

InChI

InChI=1S/C19H28N2O4S/c1-6-16(26(23,24)13(2)3)12-21-11-15(10-20-4)17-9-14(19(22)25-5)7-8-18(17)21/h7-9,11,13,16,20H,6,10,12H2,1-5H3