methyl 4-methyl-3-[2-[(2-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(2-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-2-nitro-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-2-nitroanilino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-2-nitroanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-besyl-2-nitro-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O7S/c1-16-12-13-17(23(28)33-2)14-19(16)24-22(27)15-25(20-10-6-7-11-21(20)26(29)30)34(31,32)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)