methyl 3-(methylaminomethyl)-1-(2-phenyl-2-propan-2-ylsulfonyl-ethyl)indole-5-carboxylate

Systemtic Name: methyl 3-(methylaminomethyl)-1-(2-phenyl-2-propan-2-ylsulfonyl-ethyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonyl-2-phenyl-ethyl)-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 3-(methylaminomethyl)-1-(2-phenyl-2-propan-2-ylsulfonylethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(methylaminomethyl)-1-(2-phenyl-2-propan-2-ylsulfonylethyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonyl-2-phenyl-ethyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-16(2)30(27,28)22(17-8-6-5-7-9-17)15-25-14-19(13-24-3)20-12-18(23(26)29-4)10-11-21(20)25/h5-12,14,16,22,24H,13,15H2,1-4H3