N-(1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-besyl-N-(2-pyrazol-1-ylethyl)butyramide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O3S2/c27-21(12-6-17-31(28,29)18-8-2-1-3-9-18)26(16-15-25-14-7-13-23-25)22-24-19-10-4-5-11-20(19)30-22/h1-5,7-11,13-14H,6,12,15-17H2