[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 4-methylsulfonylbenzoate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 4-methylsulfonylbenzoate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H18ClNO6S2 MolecularWeight: 479.95372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO6S2/c1-23(31(27,28)20-13-5-16(22)6-14-20)17-7-9-18(10-8-17)29-21(24)15-3-11-19(12-4-15)30(2,25)26/h3-14H,1-2H3