3-(4-methylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1,2-oxazole-5-carboxamide Openeye Name: 3-(p-tolyl)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]isoxazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-5-isoxazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1,2-oxazole-5-carboxamide Traditional Name: 3-(p-tolyl)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]isoxazole-5-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-14-4-6-15(7-5-14)17-12-18(27-22-17)20(24)21-13-16-8-9-19(28-16)29(25,26)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,24)