tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)piperidine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)pipecolinic acid tert-butyl ester Formula: C30H35ClN4O5S MolecularWeight: 599.1407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C30H35ClN4O5S/c1-29(2,3)40-28(37)26-18-30(20-34-15-13-33-19-27(34)36,10-14-35(26)24-8-11-32-12-9-24)41(38,39)25-7-5-21-16-23(31)6-4-22(21)17-25/h4-9,11-12,16-17,26,33H,10,13-15,18-20H2,1-3H3