N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide Traditional Name: 2-(4-mesylpiperazino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H24N4O3S2/c1-15-3-8-18-19(13-15)29-21(23-18)16-4-6-17(7-5-16)22-20(26)14-24-9-11-25(12-10-24)30(2,27)28/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)