tert-butyl N-[[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]methyl]carbamate CAS Name: N-[[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate Traditional Name: N-[(5-methoxy-1-tosyl-indol-3-yl)methyl]carbamic acid tert-butyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N2O5S/c1-15-6-9-18(10-7-15)30(26,27)24-14-16(13-23-21(25)29-22(2,3)4)19-12-17(28-5)8-11-20(19)24/h6-12,14H,13H2,1-5H3,(H,23,25)