N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-propylsulfonyl-propane-1-sulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-propylsulfonyl-propane-1-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-propylsulfonyl-propane-1-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-propylsulfonyl-1-propanesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-propylsulfonylpropane-1-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-propylsulfonyl-propane-1-sulfonamide Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)CCC

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)CCC

InChI

InChI=1S/C20H24N2O5S3/c1-3-12-29(23,24)22(30(25,26)13-4-2)16-8-7-9-17(14-16)27-15-20-21-18-10-5-6-11-19(18)28-20/h5-11,14H,3-4,12-13,15H2,1-2H3