N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H18N4O3S2/c1-27(32(29,30)19-11-9-16(14-24)10-12-19)15-22(28)25-18-6-4-5-17(13-18)23-26-20-7-2-3-8-21(20)31-23/h2-13H,15H2,1H3,(H,25,28)