N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C24H27N5O3S3 MolecularWeight: 529.69788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C24H27N5O3S3/c1-17-15-18(2)29(26-17)13-12-28(24-25-20-8-3-4-9-21(20)34-24)23(30)19-7-5-11-27(16-19)35(31,32)22-10-6-14-33-22/h3-4,6,8-10,14-15,19H,5,7,11-13,16H2,1-2H3