N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]-4-morpholinosulfonyl-benzenesulfonamide Formula: C18H20N6O5S3 MolecularWeight: 496.5836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSC1=NN=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H20N6O5S3/c1-30-18-19-21-22-24(18)15-4-2-3-14(13-15)20-31(25,26)16-5-7-17(8-6-16)32(27,28)23-9-11-29-12-10-23/h2-8,13,20H,9-12H2,1H3