N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloranyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloro-3-morpholinosulfonyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-chloro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-chloro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloro-3-morpholinosulfonyl-benzamide Formula: C22H20ClN5O4S2 MolecularWeight: 518.0083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20ClN5O4S2/c1-14-12-20(28(26-14)22-24-17-4-2-3-5-18(17)33-22)25-21(29)15-6-7-16(23)19(13-15)34(30,31)27-8-10-32-11-9-27/h2-7,12-13H,8-11H2,1H3,(H,25,29)