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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-benzylsulfonyl-N-(3-pyridylmethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-benzylsulfonyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-benzylsulfonyl-N-(3-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=CN=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

InChI

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