4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-N-tert-butyl-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-N-tert-butyl-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N-tert-butyl-benzenesulfonamide CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-N-tert-butylbenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N-tert-butyl-benzenesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-22(2,3)24-30(27,28)16-12-10-15(11-13-16)21(26)25-14-6-8-18(25)20-23-17-7-4-5-9-19(17)29-20/h4-5,7,9-13,18,24H,6,8,14H2,1-3H3