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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-[(5-methyl-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-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)NCC3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C21H27N3O4S2/c1-14(2)20(25)23-17-7-4-6-16(12-17)13-22-21(26)18-8-5-11-24(18)30(27,28)19-10-9-15(3)29-19/h4,6-7,9-10,12,14,18H,5,8,11,13H2,1-3H3,(H,22,26)(H,23,25)