(Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone; hydrate

Systemtic Name: (Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone; hydrate Openeye Name: (Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone; hydrate CAS Name: (Z)-2-butenedioate; 2-(4-methyl-1-piperazinyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone; hydrate IUPAC Name: (Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone; hydrate Traditional Name: 2-(4-methylpiperazino)-1-(4-pyrrolidinosulfonylphenyl)ethanone dimaleate hydrate Formula: C25H31N3O12S-4 MolecularWeight: 597.59154

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-].O

Isomeric SMILES

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3.C(=C\C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-].O

InChI

InChI=1S/C17H25N3O3S.2C4H4O4.H2O/c1-18-10-12-19(13-11-18)14-17(21)15-4-6-16(7-5-15)24(22,23)20-8-2-3-9-20;2*5-3(6)1-2-4(7)8;/h4-7H,2-3,8-14H2,1H3;2*1-2H,(H,5,6)(H,7,8);1H2/p-4/b;2*2-1-;