ethyl 4-naphthalen-2-ylsulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate

Systemtic Name: ethyl 4-naphthalen-2-ylsulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate Openeye Name: ethyl 4-(2-naphthylsulfonyl)-1-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxylate CAS Name: 4-(2-naphthalenylsulfonyl)-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-naphthalen-2-ylsulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 4-(2-naphthylsulfonyl)-1-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxylic acid ethyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H32N4O5S/c1-2-37-28(34)26-20-31(38(35,36)25-8-7-21-5-3-4-6-23(21)19-25)17-18-32(26)27(33)22-11-15-30(16-12-22)24-9-13-29-14-10-24/h3-10,13-14,19,22,26H,2,11-12,15-18,20H2,1H3