1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-(1H-imidazol-5-ylmethyl)-4-(4-pyridin-2-ylphenyl)carbonyl-piperazin-2-one hydrochloride

Systemtic Name: 1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-(1H-imidazol-5-ylmethyl)-4-(4-pyridin-2-ylphenyl)carbonyl-piperazin-2-one hydrochloride Openeye Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-3-(1H-imidazol-5-ylmethyl)-4-[4-(2-pyridyl)benzoyl]piperazin-2-one hydrochloride CAS Name: 1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-(1H-imidazol-5-ylmethyl)-4-[oxo-[4-(2-pyridinyl)phenyl]methyl]-2-piperazinone hydrochloride IUPAC Name: 1-(6-chloronaphthalen-2-yl)sulfonyl-3-(1H-imidazol-5-ylmethyl)-4-(4-pyridin-2-ylbenzoyl)piperazin-2-one hydrochloride Traditional Name: 1-[(6-chloro-2-naphthyl)sulfonyl]-3-(1H-imidazol-5-ylmethyl)-4-[4-(2-pyridyl)benzoyl]piperazin-2-one hydrochloride Formula: C30H25Cl2N5O4S MolecularWeight: 622.5216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1C(=O)C2=CC=C(C=C2)C3=CC=CC=N3)CC4=CN=CN4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl.Cl

Isomeric SMILES

C1CN(C(=O)C(N1C(=O)C2=CC=C(C=C2)C3=CC=CC=N3)CC4=CN=CN4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl.Cl

InChI

InChI=1S/C30H24ClN5O4S.ClH/c31-24-10-8-23-16-26(11-9-22(23)15-24)41(39,40)36-14-13-35(28(30(36)38)17-25-18-32-19-34-25)29(37)21-6-4-20(5-7-21)27-3-1-2-12-33-27;/h1-12,15-16,18-19,28H,13-14,17H2,(H,32,34);1H