2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-yl]acetic acid CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinyl]acetic acid IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-yl]acetic acid Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-yl]acetic acid Formula: C26H28ClN5O5S MolecularWeight: 558.04902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2C(CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)CC(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1NN2C(CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)CC(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C26H28ClN5O5S/c27-20-3-1-19-14-24(4-2-18(19)13-20)38(36,37)31-16-23(15-26(34)35)32(25(33)17-31)29-21-7-11-30(12-8-21)22-5-9-28-10-6-22/h1-6,9-10,13-14,21,23,29H,7-8,11-12,15-17H2,(H,34,35)