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

Systemtic Name: 4-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzenesulfonamide Openeye Name: 4-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-prop-1-enyl]-N-methyl-benzenesulfonamide CAS Name: 4-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide IUPAC Name: 4-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide Traditional Name: 4-[(E)-3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-prop-1-enyl]-N-methyl-benzenesulfonamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-22-29(26,27)16-11-8-15(9-12-16)10-13-20(25)24-14-4-6-18(24)21-23-17-5-2-3-7-19(17)28-21/h2-3,5,7-13,18,22H,4,6,14H2,1H3/b13-10+/t18-/m0/s1