N-(3-imidazol-1-ylpropyl)-2-methoxy-5-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-methoxy-5-(phenylsulfonyl)benzenesulfonamide Openeye Name: 5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methoxy-benzenesulfonamide CAS Name: 5-(benzenesulfonyl)-N-[3-(1-imidazolyl)propyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide Traditional Name: 5-besyl-N-(3-imidazol-1-ylpropyl)-2-methoxy-benzenesulfonamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCCN3C=CN=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H21N3O5S2/c1-27-18-9-8-17(28(23,24)16-6-3-2-4-7-16)14-19(18)29(25,26)21-10-5-12-22-13-11-20-15-22/h2-4,6-9,11,13-15,21H,5,10,12H2,1H3