methyl 4-[[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-methylamino]methyl]benzoate Traditional Name: 4-[[(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C17H17ClN2O6S/c1-11-15(18)8-14(9-16(11)20(22)23)27(24,25)19(2)10-12-4-6-13(7-5-12)17(21)26-3/h4-9H,10H2,1-3H3