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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-mesitylsulfonyl-pyrrolidine-2-carboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C)C

InChI

InChI=1S/C25H33N3O4S/c1-16(2)13-23(29)26-20-8-10-21(11-9-20)27-25(30)22-7-6-12-28(22)33(31,32)24-18(4)14-17(3)15-19(24)5/h8-11,14-16,22H,6-7,12-13H2,1-5H3,(H,26,29)(H,27,30)