N-[4-(3-methylbutanoylamino)phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(5-methylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C21H27N3O4S2/c1-14(2)13-19(25)22-16-7-9-17(10-8-16)23-21(26)18-5-4-12-24(18)30(27,28)20-11-6-15(3)29-20/h6-11,14,18H,4-5,12-13H2,1-3H3,(H,22,25)(H,23,26)