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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H25N5O3S3 MolecularWeight: 515.6713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C23H25N5O3S3/c1-16-15-17(2)27(25-16)13-12-26(23-24-18-7-3-4-9-20(18)33-23)22(29)19-8-5-11-28(19)34(30,31)21-10-6-14-32-21/h3-4,6-7,9-10,14-15,19H,5,8,11-13H2,1-2H3