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

Systemtic Name: [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[methyl(2-thienylsulfonyl)amino]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] ester IUPAC Name: [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[methyl(2-thienylsulfonyl)amino]phenyl] ester Formula: C18H16N2O7S3 MolecularWeight: 468.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7S3/c1-13-5-10-16(12-17(13)20(21)22)30(25,26)27-15-8-6-14(7-9-15)19(2)29(23,24)18-4-3-11-28-18/h3-12H,1-2H3