methyl 2-chloranyl-5-[(7-isothiocyanatonaphthalen-2-yl)sulfonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(7-isothiocyanatonaphthalen-2-yl)sulfonylamino]benzoate Openeye Name: methyl 2-chloro-5-[(7-isothiocyanato-2-naphthyl)sulfonylamino]benzoate CAS Name: 2-chloro-5-[(7-isothiocyanato-2-naphthalenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(7-isothiocyanatonaphthalen-2-yl)sulfonylamino]benzoate Traditional Name: 2-chloro-5-[(7-isothiocyanato-2-naphthyl)sulfonylamino]benzoic acid methyl ester Formula: C19H13ClN2O4S2 MolecularWeight: 432.90052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=CC(=C3)N=C=S)C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=CC(=C3)N=C=S)C=C2)Cl

InChI

InChI=1S/C19H13ClN2O4S2/c1-26-19(23)17-10-15(5-7-18(17)20)22-28(24,25)16-6-3-12-2-4-14(21-11-27)8-13(12)9-16/h2-10,22H,1H3