methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(isopropylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-[2,2-bis(isopropylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C20H30N2O6S2 MolecularWeight: 458.592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S2/c1-13(2)29(24,25)19(30(26,27)14(3)4)12-22-11-16(10-21-5)17-9-15(20(23)28-6)7-8-18(17)22/h7-9,11,13-14,19,21H,10,12H2,1-6H3