5-(3-methylphenyl)-4-(phenylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: 5-(3-methylphenyl)-4-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: 4-(benzenesulfonyl)-5-(m-tolyl)pyrrolidine-2-carboxylate CAS Name: 4-(benzenesulfonyl)-5-(3-methylphenyl)-2-pyrrolidinecarboxylate IUPAC Name: 4-(benzenesulfonyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylate Traditional Name: 4-besyl-5-(m-tolyl)pyrrolidine-2-carboxylate Formula: C18H18NO4S- MolecularWeight: 344.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(CC(N2)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2C(CC(N2)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S/c1-12-6-5-7-13(10-12)17-16(11-15(19-17)18(20)21)24(22,23)14-8-3-2-4-9-14/h2-10,15-17,19H,11H2,1H3,(H,20,21)/p-1