[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H23ClN2O7S2 MolecularWeight: 478.96742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H23ClN2O7S2/c1-20(13-6-9-29(24,25)12-13)17(22)11-28-18(23)15-10-14(4-5-16(15)19)30(26,27)21-7-2-3-8-21/h4-5,10,13H,2-3,6-9,11-12H2,1H3