methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxylic acid methyl ester Formula: C27H29ClN4O5S MolecularWeight: 557.06096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN4O5S/c1-37-27(34)25-18-31(38(35,36)24-5-3-20-16-22(28)4-2-21(20)17-24)14-15-32(25)26(33)19-8-12-30(13-9-19)23-6-10-29-11-7-23/h2-7,10-11,16-17,19,25H,8-9,12-15,18H2,1H3