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

Systemtic Name: N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H20N6O4S3 MolecularWeight: 480.5842

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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)N4CCCC4

Isomeric SMILES

CSC1=NN=NN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H20N6O4S3/c1-29-18-19-21-22-24(18)15-6-4-5-14(13-15)20-30(25,26)16-7-9-17(10-8-16)31(27,28)23-11-2-3-12-23/h4-10,13,20H,2-3,11-12H2,1H3