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

Systemtic Name: propan-2-yl 4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate Openeye Name: isopropyl 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoate CAS Name: 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate Traditional Name: 4-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoic acid isopropyl ester Formula: C20H20ClNO6S3 MolecularWeight: 502.0239

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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(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H20ClNO6S3/c1-11(2)28-19(23)13-5-7-16(18(9-13)30(4,24)25)22-31(26,27)20-12(3)15-10-14(21)6-8-17(15)29-20/h5-11,22H,1-4H3