1H-indol-3-yl 4-methyl-2-propyl-benzenesulfonate; (phenylmethyl) carbamate

Systemtic Name: 1H-indol-3-yl 4-methyl-2-propyl-benzenesulfonate; (phenylmethyl) carbamate Openeye Name: benzyl carbamate; 1H-indol-3-yl 4-methyl-2-propyl-benzenesulfonate CAS Name: carbamic acid (phenylmethyl) ester; 4-methyl-2-propylbenzenesulfonic acid 1H-indol-3-yl ester IUPAC Name: benzyl carbamate; 1H-indol-3-yl 4-methyl-2-propylbenzenesulfonate Traditional Name: carbamic acid benzyl ester; 4-methyl-2-propyl-benzenesulfonic acid 1H-indol-3-yl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C)S(=O)(=O)OC2=CNC3=CC=CC=C32.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

CCCC1=C(C=CC(=C1)C)S(=O)(=O)OC2=CNC3=CC=CC=C32.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C18H19NO3S.C8H9NO2/c1-3-6-14-11-13(2)9-10-18(14)23(20,21)22-17-12-19-16-8-5-4-7-15(16)17;9-8(10)11-6-7-4-2-1-3-5-7/h4-5,7-12,19H,3,6H2,1-2H3;1-5H,6H2,(H2,9,10)