(Z)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)ethanoyl]benzenesulfonamide

Systemtic Name: (Z)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)ethanoyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide; maleic acid CAS Name: (Z)-2-butenedioic acid; N,N-diethyl-4-[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: (Z)-but-2-enedioic acid; N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(4-phenylpiperazino)acetyl]benzenesulfonamide; maleic acid Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29N3O3S.C4H4O4/c1-3-25(4-2)29(27,28)21-12-10-19(11-13-21)22(26)18-23-14-16-24(17-15-23)20-8-6-5-7-9-20;5-3(6)1-2-4(7)8/h5-13H,3-4,14-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-