methyl 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O5S2/c1-29-21(26)18-14-6-2-3-7-17(14)30-20(18)23-19(25)15-12-13(8-9-16(15)22)31(27,28)24-10-4-5-11-24/h8-9,12H,2-7,10-11H2,1H3,(H,23,25)