naphthalen-2-yl 4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazine-1-sulfinate

Systemtic Name: naphthalen-2-yl 4-(1-pyridin-4-ylpiperidin-4-yl)carbonylpiperazine-1-sulfinate Openeye Name: 2-naphthyl 4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-1-sulfinate CAS Name: 4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazinesulfinic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-1-sulfinate Traditional Name: 4-[1-(4-pyridyl)isonipecotoyl]piperazine-1-sulfinic acid 2-naphthyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)OC3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)OC3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

InChI=1S/C25H28N4O3S/c30-25(21-9-13-27(14-10-21)23-7-11-26-12-8-23)28-15-17-29(18-16-28)33(31)32-24-6-5-20-3-1-2-4-22(20)19-24/h1-8,11-12,19,21H,9-10,13-18H2