(Z)-but-2-enedioate; N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)ethanoyl]benzenesulfonamide

Systemtic Name: (Z)-but-2-enedioate; N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)ethanoyl]benzenesulfonamide Openeye Name: (Z)-but-2-enedioate; N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)acetyl]benzenesulfonamide CAS Name: (Z)-2-butenedioate; N,N-diethyl-4-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]benzenesulfonamide IUPAC Name: (Z)-but-2-enedioate; N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)acetyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(4-methylpiperazino)acetyl]benzenesulfonamide dimaleate Formula: C25H31N3O11S-4 MolecularWeight: 581.59214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN(S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C)CC.C(=C\C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C17H27N3O3S.2C4H4O4/c1-4-20(5-2)24(22,23)16-8-6-15(7-9-16)17(21)14-19-12-10-18(3)11-13-19;2*5-3(6)1-2-4(7)8/h6-9H,4-5,10-14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/p-4/b;2*2-1-