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

Systemtic Name: methyl 3-(methylaminomethyl)-1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-isopropylsulfonyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-2-isopropylsulfonyl-ethyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S2/c1-16(2)32(27,28)22(33(29,30)19-8-6-5-7-9-19)15-25-14-18(13-24-3)20-12-17(23(26)31-4)10-11-21(20)25/h5-12,14,16,22,24H,13,15H2,1-4H3