3-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]propyl methanesulfonate

Systemtic Name: 3-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]propyl methanesulfonate Openeye Name: 3-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-(1-benzotriazolylmethyl)-4-phenyl-1-pyrrolyl]propyl ester IUPAC Name: 3-[2-(benzotriazol-1-ylmethyl)-4-phenylpyrrol-1-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[2-(benzotriazol-1-ylmethyl)-4-phenyl-pyrrol-1-yl]propyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C=C(C=C1CN2C3=CC=CC=C3N=N2)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OCCCN1C=C(C=C1CN2C3=CC=CC=C3N=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-29(26,27)28-13-7-12-24-15-18(17-8-3-2-4-9-17)14-19(24)16-25-21-11-6-5-10-20(21)22-23-25/h2-6,8-11,14-15H,7,12-13,16H2,1H3