3-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 3-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-phenyl-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: 3-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-phenyl-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acrylamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S2/c24-19(11-8-15-6-2-1-3-7-15)22-20-21-17-10-9-16(14-18(17)27-20)28(25,26)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13H2,(H,21,22,24)