2-chloranylethanoic acid; [4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

Systemtic Name: 2-chloranylethanoic acid; [4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone Openeye Name: 2-chloroacetic acid; [4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-1-yl]-[4-(4-pyridyl)phenyl]methanone CAS Name: 2-chloroacetic acid; [4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-(4-pyridin-4-ylphenyl)methanone IUPAC Name: 2-chloroacetic acid; [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone Traditional Name: 2-chloroacetic acid; [4-[(6-chloro-2-naphthyl)sulfonyl]piperazino]-[4-(4-pyridyl)phenyl]methanone Formula: C28H25Cl2N3O5S MolecularWeight: 586.4862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.C(C(=O)O)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.C(C(=O)O)Cl

InChI

InChI=1S/C26H22ClN3O3S.C2H3ClO2/c27-24-7-5-23-18-25(8-6-22(23)17-24)34(32,33)30-15-13-29(14-16-30)26(31)21-3-1-19(2-4-21)20-9-11-28-12-10-20;3-1-2(4)5/h1-12,17-18H,13-16H2;1H2,(H,4,5)