3-piperidin-1-ylsulfonyl-N-[1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide

Systemtic Name: 3-piperidin-1-ylsulfonyl-N-[1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide Openeye Name: 3-(1-piperidylsulfonyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide CAS Name: N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-3-(1-piperidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: 3-piperidin-1-ylsulfonyl-N-[1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide Traditional Name: 3-piperidinosulfonyl-N-[1-(4-propionamidophenyl)ethyl]thiophene-2-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-3-19(25)23-17-9-7-16(8-10-17)15(2)22-21(26)20-18(11-14-29-20)30(27,28)24-12-5-4-6-13-24/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,26)(H,23,25)