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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4O3S2/c1-22(27(24,25)14-8-6-13(10-19)7-9-14)12-17(23)20-11-18-21-15-4-2-3-5-16(15)26-18/h2-9H,11-12H2,1H3,(H,20,23)