2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazino)sulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H23ClN4O5S3 MolecularWeight: 543.07912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN4O5S3/c1-3-25-8-10-26(11-9-25)34(30,31)15-4-6-17(22)16(12-15)20(27)24-21-23-18-7-5-14(33(2,28)29)13-19(18)32-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,24,27)