N-(1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-benzylsulfonyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-benzylsulfonyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-benzylsulfonyl-N-(2-pyridylmethyl)propionamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c27-22(13-15-31(28,29)17-18-8-2-1-3-9-18)26(16-19-10-6-7-14-24-19)23-25-20-11-4-5-12-21(20)30-23/h1-12,14H,13,15-17H2