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

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C22H22N2O4S2/c1-28-16-9-11-17(12-10-16)30(26,27)14-4-7-20(25)23-22-24-21-18-6-3-2-5-15(18)8-13-19(21)29-22/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3,(H,23,24,25)