5-oxidanylidene-4-(phenylmethyl)sulfonyl-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-(phenylmethyl)sulfonyl-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid Openeye Name: 6-allyl-4-benzylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid CAS Name: 5-oxo-4-(phenylmethyl)sulfonyl-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid IUPAC Name: 4-benzylsulfonyl-5-oxo-6-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid Traditional Name: 6-allyl-4-benzylsulfonyl-5-keto-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C2C(CCN2C(=O)O)N(C1=O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCC1C2C(CCN2C(=O)O)N(C1=O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O5S/c1-2-6-13-15-14(9-10-18(15)17(21)22)19(16(13)20)25(23,24)11-12-7-4-3-5-8-12/h2-5,7-8,13-15H,1,6,9-11H2,(H,21,22)