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

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-methyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-methyl-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]-6-oxo-piperazin-2-yl]acetate CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-methyl-1-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-6-oxo-2-piperazinyl]acetate IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-methyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxopiperazin-2-yl]acetate Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-2-methyl-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-yl]acetate Formula: C28H31ClN5O5S- MolecularWeight: 585.09424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1N(C)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)CC(=O)[O-]

Isomeric SMILES

CC1(CN(CC(=O)N1N(C)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)CC(=O)[O-]

InChI

InChI=1S/C28H32ClN5O5S/c1-28(17-27(36)37)19-33(40(38,39)25-6-4-20-15-22(29)5-3-21(20)16-25)18-26(35)34(28)31(2)23-9-13-32(14-10-23)24-7-11-30-12-8-24/h3-8,11-12,15-16,23H,9-10,13-14,17-19H2,1-2H3,(H,36,37)/p-1