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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrazolyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H29N5O3S2 MolecularWeight: 523.67016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=C(C=C5S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CCN3C=CC=N3)C4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C26H29N5O3S2/c1-18-7-9-21(10-8-18)36(33,34)31-13-4-6-22(31)25(32)30(15-14-29-12-5-11-27-29)26-28-24-20(3)16-19(2)17-23(24)35-26/h5,7-12,16-17,22H,4,6,13-15H2,1-3H3