[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-15-14-16(4-13-21(15)24(26)27)22(25)31-19-7-5-17(6-8-19)23(2)32(28,29)20-11-9-18(30-3)10-12-20/h4-14H,1-3H3