N-[4-[4-[(2-methyl-1,3-benzothiazol-6-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2-methyl-1,3-benzothiazol-6-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(2-methyl-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2-methyl-1,3-benzothiazol-6-yl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2-methyl-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(2-methyl-1,3-benzothiazole-6-carbonyl)piperazino]sulfonylphenyl]acetamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C21H22N4O4S2/c1-14(26)22-17-4-6-18(7-5-17)31(28,29)25-11-9-24(10-12-25)21(27)16-3-8-19-20(13-16)30-15(2)23-19/h3-8,13H,9-12H2,1-2H3,(H,22,26)