5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-2-methyl-benzamide

Systemtic Name: 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-2-methyl-benzamide Openeye Name: 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-2-methyl-benzamide CAS Name: 5-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]-2-methylbenzamide IUPAC Name: 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-2-methylbenzamide Traditional Name: 5-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]sulfonyl-2-methyl-benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3)C(=O)N

InChI

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