N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(N-tosylanilino)propionamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S2/c1-17-11-13-19(14-12-17)31(28,29)26(18-7-3-2-4-8-18)16-15-22(27)25-23-24-20-9-5-6-10-21(20)30-23/h2-14H,15-16H2,1H3,(H,24,25,27)