N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butanamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butyramide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S2/c25-20(11-6-14-29(26,27)15-16-7-2-1-3-8-16)23-22-24-21-18-10-5-4-9-17(18)12-13-19(21)28-22/h1-5,7-10H,6,11-15H2,(H,23,24,25)