2-[(4-chlorophenyl)carbonylamino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(4-chlorobenzoyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-chlorobenzoyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(4-chlorobenzoyl)amino]ethyl ester Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClNO4S/c1-12-2-8-15(9-3-12)23(20,21)22-11-10-18-16(19)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)