2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]ethanoate

Systemtic Name: 2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]ethanoate Openeye Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-[1-(2-methyl-4-pyridyl)-4-piperidyl]amino]acetate CAS Name: 2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]amino]acetate IUPAC Name: 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]acetate Traditional Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-[1-(2-methyl-4-pyridyl)-4-piperidyl]amino]acetate Formula: C27H29ClN5O5S- MolecularWeight: 571.06766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCC(CC2)N(CC(=O)[O-])N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC1=NC=CC(=C1)N2CCC(CC2)N(CC(=O)[O-])N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN5O5S/c1-19-14-24(6-9-29-19)30-10-7-23(8-11-30)33(18-27(35)36)32-13-12-31(17-26(32)34)39(37,38)25-5-3-20-15-22(28)4-2-21(20)16-25/h2-6,9,14-16,23H,7-8,10-13,17-18H2,1H3,(H,35,36)/p-1