N-[4-(3-methylbutanoylamino)phenyl]-1-propylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-propylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-propylsulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-propylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-propylsulfonyl-pyrrolidine-2-carboxamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C19H29N3O4S/c1-4-12-27(25,26)22-11-5-6-17(22)19(24)21-16-9-7-15(8-10-16)20-18(23)13-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,24)