4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-(phenylmethyl)piperazin-2-one

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-(phenylmethyl)piperazin-2-one Openeye Name: 3-benzyl-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(4-imidazol-1-ylphenyl)methyl]piperazin-2-one CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-(1-imidazolyl)phenyl]methyl]-3-(phenylmethyl)-2-piperazinone IUPAC Name: 3-benzyl-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(4-imidazol-1-ylphenyl)methyl]piperazin-2-one Traditional Name: 3-benzyl-4-[(6-chloro-2-naphthyl)sulfonyl]-1-(4-imidazol-1-ylbenzyl)piperazin-2-one Formula: C31H27ClN4O3S MolecularWeight: 571.08908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

C1CN(C(C(=O)N1CC2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C31H27ClN4O3S/c32-27-10-8-26-20-29(13-9-25(26)19-27)40(38,39)36-17-16-34(31(37)30(36)18-23-4-2-1-3-5-23)21-24-6-11-28(12-7-24)35-15-14-33-22-35/h1-15,19-20,22,30H,16-18,21H2