N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O7S2/c1-27-12-3-5-13(6-4-12)30(25,26)8-7-16(22)19-18-20-17-14(28-2)9-11(21(23)24)10-15(17)29-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,22)