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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O4S2/c1-27-15-7-9-16(10-8-15)29(25,26)13-12-19(24)22-21-23-20-17-5-3-2-4-14(17)6-11-18(20)28-21/h2-11H,12-13H2,1H3,(H,22,23,24)