phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate

Systemtic Name: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate Openeye Name: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate CAS Name: 3-[bis(2-chloroethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate Traditional Name: 3-[bis(2-chloroethyl)amino]benzenesulfonic acid phenyl ester Formula: C16H17Cl2NO3S MolecularWeight: 374.28208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)N(CCCl)CCCl

InChI

InChI=1S/C16H17Cl2NO3S/c17-9-11-19(12-10-18)14-5-4-8-16(13-14)23(20,21)22-15-6-2-1-3-7-15/h1-8,13H,9-12H2