N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-isopropylsulfonyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-isopropylsulfonyl-N-(2-pyridylmethyl)benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O3S2/c1-16(2)31(28,29)19-10-7-8-17(14-19)22(27)26(15-18-9-5-6-13-24-18)23-25-20-11-3-4-12-21(20)30-23/h3-14,16H,15H2,1-2H3