4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidine-2-carboxylic acid

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-yl-piperidine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(piperazin-1-ylmethyl)-1-(4-pyridyl)piperidine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(1-piperazinylmethyl)-1-pyridin-4-yl-2-piperidinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-4-(piperazin-1-ylmethyl)-1-pyridin-4-ylpiperidine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(piperazinomethyl)-1-(4-pyridyl)pipecolinic acid Formula: C26H29ClN4O4S MolecularWeight: 529.05086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1(CN2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CN(C(CC1(CN2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C26H29ClN4O4S/c27-21-3-1-20-16-23(4-2-19(20)15-21)36(34,35)26(18-30-13-10-29-11-14-30)7-12-31(24(17-26)25(32)33)22-5-8-28-9-6-22/h1-6,8-9,15-16,24,29H,7,10-14,17-18H2,(H,32,33)