phenyl 4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazine-1-sulfinate

Systemtic Name: phenyl 4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazine-1-sulfinate Openeye Name: phenyl 4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-1-sulfinate CAS Name: 4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazinesulfinic acid phenyl ester IUPAC Name: phenyl 4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-1-sulfinate Traditional Name: 4-[1-(4-pyridyl)isonipecotoyl]piperazine-1-sulfinic acid phenyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)OC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)OC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27)28-20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2