N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O5S2/c1-28-14-7-8-16(29-2)18(13-14)31(26,27)24-11-9-23(10-12-24)20(25)22-19-21-15-5-3-4-6-17(15)30-19/h3-8,13H,9-12H2,1-2H3,(H,21,22,25)