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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-besyl-N-(2-pyrazol-1-ylethyl)propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S2/c26-20(11-16-30(27,28)17-7-2-1-3-8-17)25(15-14-24-13-6-12-22-24)21-23-18-9-4-5-10-19(18)29-21/h1-10,12-13H,11,14-16H2