5-naphthalen-2-ylsulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid

Systemtic Name: 5-naphthalen-2-ylsulfonyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid Openeye Name: 5-(2-naphthylsulfonyl)-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid CAS Name: 5-(2-naphthalenylsulfonyl)-2-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 5-naphthalen-2-ylsulfonyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoic acid Traditional Name: 5-(2-naphthylsulfonyl)-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C27H23N3O5S/c31-26(30-15-13-29(14-16-30)21-9-11-28-12-10-21)24-8-7-23(18-25(24)27(32)33)36(34,35)22-6-5-19-3-1-2-4-20(19)17-22/h1-12,17-18H,13-16H2,(H,32,33)