methyl 2-[[5-methoxy-3-(4-methylphenyl)sulfonyl-1H-indol-4-yl]methyl]aziridine-1-carboxylate

Systemtic Name: methyl 2-[[5-methoxy-3-(4-methylphenyl)sulfonyl-1H-indol-4-yl]methyl]aziridine-1-carboxylate Openeye Name: methyl 2-[[5-methoxy-3-(p-tolylsulfonyl)-1H-indol-4-yl]methyl]aziridine-1-carboxylate CAS Name: 2-[[5-methoxy-3-(4-methylphenyl)sulfonyl-1H-indol-4-yl]methyl]-1-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-methoxy-3-(4-methylphenyl)sulfonyl-1H-indol-4-yl]methyl]aziridine-1-carboxylate Traditional Name: 2-[(5-methoxy-3-tosyl-1H-indol-4-yl)methyl]ethylenimine-1-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C(=C(C=C3)OC)CC4CN4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C(=C(C=C3)OC)CC4CN4C(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-13-4-6-15(7-5-13)29(25,26)19-11-22-17-8-9-18(27-2)16(20(17)19)10-14-12-23(14)21(24)28-3/h4-9,11,14,22H,10,12H2,1-3H3