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

Systemtic Name: 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonyl-benzoate Openeye Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonyl-benzoate CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonylbenzoate IUPAC Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonylbenzoate Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-esyl-benzoate Formula: C18H15ClNO6S3- MolecularWeight: 472.9628

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)[O-])NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)[O-])NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C18H16ClNO6S3/c1-3-28(23,24)16-8-11(17(21)22)4-6-14(16)20-29(25,26)18-10(2)13-9-12(19)5-7-15(13)27-18/h4-9,20H,3H2,1-2H3,(H,21,22)/p-1