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

Systemtic Name: methyl 1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2,2-bis(isopropylsulfonyl)ethyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2,2-bis(propan-2-ylsulfonyl)ethyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2,2-bis(propan-2-ylsulfonyl)ethyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-[2,2-bis(isopropylsulfonyl)ethyl]indole-5-carboxylic acid methyl ester Formula: C25H32N2O6S2 MolecularWeight: 520.66138

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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)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S2/c1-17(2)34(29,30)24(35(31,32)18(3)4)16-27-15-20(14-26-21-9-7-6-8-10-21)22-13-19(25(28)33-5)11-12-23(22)27/h6-13,15,17-18,24,26H,14,16H2,1-5H3