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

Systemtic Name: 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-nitro-benzoate Openeye Name: 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-nitrobenzoate IUPAC Name: 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-benzoate Formula: C16H10ClN2O6S2- MolecularWeight: 425.8434

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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)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O6S2/c1-8-11-7-10(17)3-5-14(11)26-16(8)27(24,25)18-12-4-2-9(15(20)21)6-13(12)19(22)23/h2-7,18H,1H3,(H,20,21)/p-1