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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C22H20ClN5O3S2 MolecularWeight: 502.0089

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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)N3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20ClN5O3S2/c1-14-12-20(28(26-14)22-24-17-6-2-3-7-18(17)32-22)25-21(29)15-8-9-16(23)19(13-15)33(30,31)27-10-4-5-11-27/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,25,29)