[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl] ester Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23ClN2O6S2/c1-22(12-15-6-8-18(21)30-15)19(24)13-29-20(25)14-5-7-16(28-2)17(11-14)31(26,27)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12-13H2,1-2H3