3,4-dimethyl-N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-(4-besylpiperazino)-3-keto-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O5S2/c1-17-8-9-20(16-18(17)2)30(26,27)22-11-10-21(25)23-12-14-24(15-13-23)31(28,29)19-6-4-3-5-7-19/h3-9,16,22H,10-15H2,1-2H3