2-(4-methylphenyl)sulfonyl-1-phenyl-4-pyrrolidin-1-yl-butane-1,4-dione

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1-phenyl-4-pyrrolidin-1-yl-butane-1,4-dione Openeye Name: 1-phenyl-2-(p-tolylsulfonyl)-4-pyrrolidin-1-yl-butane-1,4-dione CAS Name: 2-(4-methylphenyl)sulfonyl-1-phenyl-4-(1-pyrrolidinyl)butane-1,4-dione IUPAC Name: 2-(4-methylphenyl)sulfonyl-1-phenyl-4-pyrrolidin-1-ylbutane-1,4-dione Traditional Name: 1-phenyl-4-pyrrolidino-2-tosyl-butane-1,4-dione Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)N2CCCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)N2CCCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c1-16-9-11-18(12-10-16)27(25,26)19(15-20(23)22-13-5-6-14-22)21(24)17-7-3-2-4-8-17/h2-4,7-12,19H,5-6,13-15H2,1H3