N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C18H17ClN2O5S2 MolecularWeight: 440.92098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C18H17ClN2O5S2/c1-25-11-3-5-12(6-4-11)28(23,24)10-9-15(22)20-18-21-16-14(26-2)8-7-13(19)17(16)27-18/h3-8H,9-10H2,1-2H3,(H,20,21,22)