methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2,2-bis(phenylsulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,2-bis(benzenesulfonyl)ethyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2,2-dibesylethyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O6S2/c1-27-16-20-17-28(24-14-13-19(15-23(20)24)26(29)34-2)18-25(35(30,31)21-9-5-3-6-10-21)36(32,33)22-11-7-4-8-12-22/h3-15,17,25,27H,16,18H2,1-2H3