[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O8S2 MolecularWeight: 488.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28N2O8S2/c1-14(19(23)21(2)16-8-11-31(25,26)13-16)30-20(24)15-6-7-17(29-3)18(12-15)32(27,28)22-9-4-5-10-22/h6-7,12,14,16H,4-5,8-11,13H2,1-3H3