5-cyano-2-[2-methoxy-2-methyl-1-[(4-methylphenyl)sulfinylamino]pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 5-cyano-2-[2-methoxy-2-methyl-1-[(4-methylphenyl)sulfinylamino]pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Openeye Name: 5-cyano-2-[2-methoxy-2-methyl-1-(p-tolylsulfinylamino)pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid CAS Name: 5-cyano-2-[2-methoxy-2-methyl-1-[(4-methylphenyl)sulfinylamino]pentyl]-3-[(E)-prop-1-enyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 5-cyano-2-[2-methoxy-2-methyl-1-[(4-methylphenyl)sulfinylamino]pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Traditional Name: 5-cyano-2-[2-methoxy-2-methyl-1-(p-tolylsulfinylamino)pentyl]-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(C1C(CC(N1C(=O)O)C#N)C=CC)NS(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCC(C)(C(C1C(CC(N1C(=O)O)C#N)/C=C/C)NS(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C23H33N3O4S/c1-6-8-17-14-18(15-24)26(22(27)28)20(17)21(23(4,30-5)13-7-2)25-31(29)19-11-9-16(3)10-12-19/h6,8-12,17-18,20-21,25H,7,13-14H2,1-5H3,(H,27,28)/b8-6+