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

Systemtic Name: methyl 3-(methylaminomethyl)-1-[2-phenyl-2-(phenylsulfonyl)ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-phenyl-ethyl]-3-(methylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-phenylethyl]-3-(methylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-phenylethyl]-3-(methylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-2-phenyl-ethyl)-3-(methylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-27-16-21-17-28(24-14-13-20(15-23(21)24)26(29)32-2)18-25(19-9-5-3-6-10-19)33(30,31)22-11-7-4-8-12-22/h3-15,17,25,27H,16,18H2,1-2H3