N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H28N4O5S4 MolecularWeight: 556.74152

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O5S4/c1-24(2)13-14-26(22-23-20-17(33-22)6-4-7-18(20)34(3,28)29)21(27)16-9-11-25(12-10-16)35(30,31)19-8-5-15-32-19/h4-8,15-16H,9-14H2,1-3H3