[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl] ester Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H20N2O7S/c1-24-15(20)10-17-14(19)11-25-16(21)12-4-6-13(7-5-12)26(22,23)18-8-2-3-9-18/h4-7H,2-3,8-11H2,1H3,(H,17,19)