[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H18ClNO6S MolecularWeight: 459.89942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClNO6S/c1-24(31(26,27)19-9-3-16(23)4-10-19)17-5-7-18(8-6-17)30-22(25)15-2-11-20-21(14-15)29-13-12-28-20/h2-11,14H,12-13H2,1H3