N-[3-(propanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(propanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(propanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[3-(1-oxopropylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(propanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(3-propionamidophenyl)pyrrolidine-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H29N3O4S/c1-5-21(27)24-18-8-6-9-19(14-18)25-23(28)20-10-7-11-26(20)31(29,30)22-16(3)12-15(2)13-17(22)4/h6,8-9,12-14,20H,5,7,10-11H2,1-4H3,(H,24,27)(H,25,28)