[4-[bis(2-chloroethyl)amino]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[bis(2-chloroethyl)amino]phenyl]methyl ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[bis(2-chloroethyl)amino]benzyl] ester Formula: C18H21Cl2NO3S MolecularWeight: 402.33524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C18H21Cl2NO3S/c1-15-2-8-18(9-3-15)25(22,23)24-14-16-4-6-17(7-5-16)21(12-10-19)13-11-20/h2-9H,10-14H2,1H3