ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate

Systemtic Name: ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate Openeye Name: ethyl 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid ethyl ester Formula: C28H33ClN4O4S MolecularWeight: 557.10402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C28H33ClN4O4S/c1-2-37-28(34)27-20-33(38(35,36)26-6-4-22-17-24(29)5-3-23(22)18-26)16-15-32(27)19-21-9-13-31(14-10-21)25-7-11-30-12-8-25/h3-8,11-12,17-18,21,27H,2,9-10,13-16,19-20H2,1H3