(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H19N3O5S/c1-12(19)15(10-18)16(21)11-25-17(22)13-4-6-14(7-5-13)26(23,24)20-8-2-3-9-20/h4-7,15,19H,2-3,8-9,11H2,1H3