4-[(4-methylsulfonylphenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 4-[(4-methylsulfonylphenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 4-[(4-methylsulfonylphenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 4-[(4-methylsulfonylphenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 4-[(4-mesylphenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C19H23N3O6S3 MolecularWeight: 485.59742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C19H23N3O6S3/c1-29(23,24)16-10-12-18(13-11-16)30(25,26)21-15-6-8-17(9-7-15)31(27,28)22-19-5-3-2-4-14-20-19/h6-13,21H,2-5,14H2,1H3,(H,20,22)