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

Systemtic Name: 5-(2-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]isoxazole-3-carboxamide CAS Name: 5-(2-methoxyphenyl)-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2-methoxyphenyl)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]isoxazole-3-carboxamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O5S2/c1-27-17-7-3-2-6-15(17)18-12-16(22-28-18)20(24)21-13-14-8-9-19(29-14)30(25,26)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,24)