4-butoxy-4-oxidanylidene-3-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-butoxy-4-oxidanylidene-3-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-4-butoxy-4-oxo-butanoic acid CAS Name: 3-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]-4-butoxy-4-oxobutanoic acid IUPAC Name: 3-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-4-butoxy-4-oxobutanoic acid Traditional Name: 3-[[(E)-3-besylacryloyl]amino]-4-butoxy-4-keto-butyric acid Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC(=O)O)NC(=O)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)C(CC(=O)O)NC(=O)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H21NO7S/c1-2-3-10-25-17(22)14(12-16(20)21)18-15(19)9-11-26(23,24)13-7-5-4-6-8-13/h4-9,11,14H,2-3,10,12H2,1H3,(H,18,19)(H,20,21)/b11-9+