4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C21H34N4O5S2 MolecularWeight: 486.64846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H34N4O5S2/c1-22(2)32(29,30)25-17-15-23(16-18-25)21(26)12-9-19-7-10-20(11-8-19)31(27,28)24-13-5-3-4-6-14-24/h7-8,10-11H,3-6,9,12-18H2,1-2H3