2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-amino]ethanoic acid Openeye Name: 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)piperidine-4-carbonyl]amino]acetic acid CAS Name: 2-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]acetic acid IUPAC Name: 2-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl-(1-pyridin-4-ylpiperidine-4-carbonyl)amino]acetic acid Traditional Name: 2-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl-[1-(4-pyridyl)isonipecotoyl]amino]acetic acid Formula: C26H28ClN3O5S MolecularWeight: 530.03562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N(CCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C26H28ClN3O5S/c27-22-4-2-21-17-24(5-3-20(21)16-22)36(34,35)15-1-12-30(18-25(31)32)26(33)19-8-13-29(14-9-19)23-6-10-28-11-7-23/h2-7,10-11,16-17,19H,1,8-9,12-15,18H2,(H,31,32)