N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3O3S2/c1-15-9-10-17(14-16(15)2)30(27,28)23-12-11-21(26)25-13-5-7-19(25)22-24-18-6-3-4-8-20(18)29-22/h3-4,6,8-10,14,19,23H,5,7,11-13H2,1-2H3/t19-/m1/s1