N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-keto-3-[4-(3-methoxyphenyl)piperazino]propyl]piazthiole-4-sulfonamide Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H23N5O4S2/c1-29-16-5-2-4-15(14-16)24-10-12-25(13-11-24)19(26)8-9-21-31(27,28)18-7-3-6-17-20(18)23-30-22-17/h2-7,14,21H,8-13H2,1H3