N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H25N5O3S3 MolecularWeight: 515.6713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN3C=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C23H25N5O3S3/c1-16-14-17(2)21-19(15-16)33-23(25-21)27(12-11-26-9-5-8-24-26)22(29)18-6-3-10-28(18)34(30,31)20-7-4-13-32-20/h4-5,7-9,13-15,18H,3,6,10-12H2,1-2H3