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

Systemtic Name: methyl 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonylpentyl)-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(methylaminomethyl)-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonylpentyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-6-7-17(27(24,25)14(2)3)13-22-12-16(11-21-4)18-10-15(20(23)26-5)8-9-19(18)22/h8-10,12,14,17,21H,6-7,11,13H2,1-5H3