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

Systemtic Name: 3-phenyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-phenyl-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]prop-2-enamide CAS Name: 3-phenyl-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: 3-phenyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-phenyl-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-20(12-9-16-7-3-1-4-8-16)23-21-22-18-11-10-17(15-19(18)28-21)29(26,27)24-13-5-2-6-14-24/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,23,25)