methyl 2-chloranyl-5-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 5-[[2-[N-(benzenesulfonyl)-4-nitro-anilino]acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-[N-(benzenesulfonyl)-4-nitroanilino]-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(N-besyl-4-nitro-anilino)acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C22H18ClN3O7S MolecularWeight: 503.91222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O7S/c1-33-22(28)19-13-15(7-12-20(19)23)24-21(27)14-25(16-8-10-17(11-9-16)26(29)30)34(31,32)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,27)