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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-benzylsulfonyl-butanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-benzylsulfonylbutanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-benzylsulfonyl-butyramide Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N2O3S2/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/h1-5,7-10,12-13H,6,11,14-15H2,(H,23,24,25)