4-ethanoyl-1-[2-[3-[methyl(sulfinato)amino]phenyl]ethanoyl]-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride

Systemtic Name: 4-ethanoyl-1-[2-[3-[methyl(sulfinato)amino]phenyl]ethanoyl]-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride Openeye Name: 4-acetyl-1-[2-[3-[methyl(sulfinato)amino]phenyl]acetyl]-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride CAS Name: 4-acetyl-1-[2-[3-[methyl(sulfinato)amino]phenyl]-1-oxoethyl]-2-(1-pyrrolidinylmethyl)piperazine hydrochloride IUPAC Name: 4-acetyl-1-[2-[3-[methyl(sulfinato)amino]phenyl]acetyl]-2-(pyrrolidin-1-ylmethyl)piperazine hydrochloride Traditional Name: 4-acetyl-1-[2-[3-[methyl(sulfinato)amino]phenyl]acetyl]-2-(pyrrolidinomethyl)piperazine hydrochloride Formula: C20H30ClN4O4S- MolecularWeight: 457.9946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=CC=C3)N(C)S(=O)[O-].Cl

Isomeric SMILES

CC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=CC=C3)N(C)S(=O)[O-].Cl

InChI

InChI=1S/C20H30N4O4S.ClH/c1-16(25)23-10-11-24(19(15-23)14-22-8-3-4-9-22)20(26)13-17-6-5-7-18(12-17)21(2)29(27)28;/h5-7,12,19H,3-4,8-11,13-15H2,1-2H3,(H,27,28);1H/p-1