3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-8-sulfonamide

Systemtic Name: 3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-8-sulfonamide Openeye Name: 3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-8-sulfonamide CAS Name: 3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-8-quinolinesulfonamide IUPAC Name: 3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-8-sulfonamide Traditional Name: 3-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-8-sulfonamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NCCCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NCCCCC4

InChI

InChI=1S/C22H24N4O4S2/c1-16-14-17-6-5-7-20(22(17)24-15-16)32(29,30)25-18-9-11-19(12-10-18)31(27,28)26-21-8-3-2-4-13-23-21/h5-7,9-12,14-15,25H,2-4,8,13H2,1H3,(H,23,26)