3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-cyclopentyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[4-(4-methylpiperazino)sulfonylphenyl]propionamide Formula: C27H34N4O5S3 MolecularWeight: 590.77766

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C27H34N4O5S3/c1-30-13-15-31(16-14-30)39(35,36)21-9-7-20(8-10-21)23(17-19-5-3-4-6-19)26(32)29-27-28-24-12-11-22(38(2,33)34)18-25(24)37-27/h7-12,18-19,23H,3-6,13-17H2,1-2H3,(H,28,29,32)