3-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]hydrazo]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O6S2/c1-25(2)33(29,30)20-9-7-8-18(16-20)22(28)24-23-21(27)17-10-12-19(13-11-17)34(31,32)26-14-5-3-4-6-15-26/h7-13,16H,3-6,14-15H2,1-2H3,(H,23,27)(H,24,28)