3-[2-chloranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide

Systemtic Name: 3-[2-chloranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide Openeye Name: 3-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonyl-phenoxy]-5-[(1S)-2-methoxy-1-methyl-ethoxy]-N-(1-methylpyrazol-3-yl)benzamide CAS Name: 3-[2-chloro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methyl-3-pyrazolyl)benzamide IUPAC Name: 3-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide Traditional Name: 3-[2-chloro-4-(4-methylpiperazino)sulfonyl-phenoxy]-5-[(1S)-2-methoxy-1-methyl-ethoxy]-N-(1-methylpyrazol-3-yl)benzamide Formula: C26H32ClN5O6S MolecularWeight: 578.08018

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Cl)C(=O)NC4=NN(C=C4)C

Isomeric SMILES

C[C@@H](COC)OC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)Cl)C(=O)NC4=NN(C=C4)C

InChI

InChI=1S/C26H32ClN5O6S/c1-18(17-36-4)37-20-13-19(26(33)28-25-7-8-31(3)29-25)14-21(15-20)38-24-6-5-22(16-23(24)27)39(34,35)32-11-9-30(2)10-12-32/h5-8,13-16,18H,9-12,17H2,1-4H3,(H,28,29,33)/t18-/m0/s1