[4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 3-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 3-chloranyl-2-methyl-benzenesulfonate Openeye Name: [4-[methyl(2-thienylsulfonyl)amino]phenyl] 3-chloro-2-methyl-benzenesulfonate CAS Name: 3-chloro-2-methylbenzenesulfonic acid [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] ester IUPAC Name: [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 3-chloro-2-methylbenzenesulfonate Traditional Name: 3-chloro-2-methyl-benzenesulfonic acid [4-[methyl(2-thienylsulfonyl)amino]phenyl] ester Formula: C18H16ClNO5S3 MolecularWeight: 457.97134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H16ClNO5S3/c1-13-16(19)5-3-6-17(13)28(23,24)25-15-10-8-14(9-11-15)20(2)27(21,22)18-7-4-12-26-18/h3-12H,1-2H3