5-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide

Systemtic Name: 5-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide Openeye Name: 5-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide CAS Name: 5-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxoprop-1-enyl]-2-methoxy-N-methylbenzenesulfonamide IUPAC Name: 5-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-methoxy-N-methylbenzenesulfonamide Traditional Name: 5-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-prop-1-enyl]-2-methoxy-N-methyl-benzenesulfonamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H23N3O4S2/c1-23-31(27,28)20-14-15(9-11-18(20)29-2)10-12-21(26)25-13-5-7-17(25)22-24-16-6-3-4-8-19(16)30-22/h3-4,6,8-12,14,17,23H,5,7,13H2,1-2H3/b12-10+/t17-/m0/s1