4-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-3,5-dimethyl-piperazin-1-yl]carbonylphenyl]pyridine-2-carbonitrile

Systemtic Name: 4-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-3,5-dimethyl-piperazin-1-yl]carbonylphenyl]pyridine-2-carbonitrile Openeye Name: 4-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]-3,5-dimethyl-piperazine-1-carbonyl]phenyl]pyridine-2-carbonitrile CAS Name: 4-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-3,5-dimethyl-1-piperazinyl]-oxomethyl]phenyl]-2-pyridinecarbonitrile IUPAC Name: 4-[4-[4-(6-chloronaphthalen-2-yl)sulfonyl-3,5-dimethylpiperazine-1-carbonyl]phenyl]pyridine-2-carbonitrile Traditional Name: 4-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]-3,5-dimethyl-piperazine-1-carbonyl]phenyl]picolinonitrile Formula: C29H25ClN4O3S MolecularWeight: 545.0518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C)C(=O)C4=CC=C(C=C4)C5=CC(=NC=C5)C#N

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C)C(=O)C4=CC=C(C=C4)C5=CC(=NC=C5)C#N

InChI

InChI=1S/C29H25ClN4O3S/c1-19-17-33(29(35)22-5-3-21(4-6-22)25-11-12-32-27(14-25)16-31)18-20(2)34(19)38(36,37)28-10-8-23-13-26(30)9-7-24(23)15-28/h3-15,19-20H,17-18H2,1-2H3