3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-3-24(4-2)30(27,28)17-10-7-9-16(15-17)22(26)25-14-8-12-19(25)21-23-18-11-5-6-13-20(18)29-21/h5-7,9-11,13,15,19H,3-4,8,12,14H2,1-2H3