2-methylsulfinyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide

Systemtic Name: 2-methylsulfinyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide Openeye Name: 2-methylsulfinyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide CAS Name: 2-methylsulfinyl-5-[1-oxo-4-(4-phenyl-1-piperazinyl)butyl]benzenesulfonamide IUPAC Name: 2-methylsulfinyl-5-[4-(4-phenylpiperazin-1-yl)butanoyl]benzenesulfonamide Traditional Name: 2-methylsulfinyl-5-[4-(4-phenylpiperazino)butanoyl]benzenesulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N

Isomeric SMILES

CS(=O)C1=C(C=C(C=C1)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O4S2/c1-29(26)20-10-9-17(16-21(20)30(22,27)28)19(25)8-5-11-23-12-14-24(15-13-23)18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3,(H2,22,27,28)