N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-methylsulfanyl-1-(3-pyridylcarbamoyl)propyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-(3-pyridinylamino)butan-2-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(methylthio)-1-(3-pyridylcarbamoyl)propyl]-3-morpholinosulfonyl-benzamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSCCC(C(=O)NC1=CN=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26N4O5S2/c1-31-13-7-19(21(27)23-17-5-3-8-22-15-17)24-20(26)16-4-2-6-18(14-16)32(28,29)25-9-11-30-12-10-25/h2-6,8,14-15,19H,7,9-13H2,1H3,(H,23,27)(H,24,26)