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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-(6-isopropyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-(6-isopropyl-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)C(C)C

InChI

InChI=1S/C22H25N3O3S2/c1-14(2)16-8-11-18-20(13-16)29-22(23-18)24-21(26)19-5-4-12-25(19)30(27,28)17-9-6-15(3)7-10-17/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,23,24,26)