methyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: methyl 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)isonipecotic acid methyl ester Formula: C27H29ClN4O5S MolecularWeight: 557.06096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

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