methyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-nitro-benzoate

Systemtic Name: methyl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-nitro-benzoate Openeye Name: methyl 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-nitro-benzoate CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-nitrobenzoate Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-nitro-benzoic acid methyl ester Formula: C17H13ClN2O6S2 MolecularWeight: 440.87792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O6S2/c1-9-12-8-11(18)4-6-15(12)27-17(9)28(24,25)19-13-5-3-10(16(21)26-2)7-14(13)20(22)23/h3-8,19H,1-2H3