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

Systemtic Name: methyl 3-(phenylazanylmethyl)-1-(2-phenyl-2-propan-2-ylsulfonyl-ethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-isopropylsulfonyl-2-phenyl-ethyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(2-phenyl-2-propan-2-ylsulfonylethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(2-phenyl-2-propan-2-ylsulfonylethyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-isopropylsulfonyl-2-phenyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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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)CNC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4S/c1-20(2)35(32,33)27(21-10-6-4-7-11-21)19-30-18-23(17-29-24-12-8-5-9-13-24)25-16-22(28(31)34-3)14-15-26(25)30/h4-16,18,20,27,29H,17,19H2,1-3H3