N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-ethyl-3-(3-ketopiperazino)sulfonyl-N-veratryl-benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C22H27N3O6S/c1-4-24(14-16-8-9-19(30-2)20(12-16)31-3)22(27)17-6-5-7-18(13-17)32(28,29)25-11-10-23-21(26)15-25/h5-9,12-13H,4,10-11,14-15H2,1-3H3,(H,23,26)