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

Systemtic Name: methyl 3-(methylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonyl-propyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonyl-3-phenyl-propyl)-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 3-(methylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(methylaminomethyl)-1-(3-phenyl-2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonyl-3-phenyl-propyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC

Isomeric SMILES

CC(C)S(=O)(=O)C(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC

InChI

InChI=1S/C24H30N2O4S/c1-17(2)31(28,29)21(12-18-8-6-5-7-9-18)16-26-15-20(14-25-3)22-13-19(24(27)30-4)10-11-23(22)26/h5-11,13,15,17,21,25H,12,14,16H2,1-4H3