N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)C3=CC=CC=C3OC

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O5S/c1-25(2)19(18-9-4-5-10-20(18)31-3)14-24-22(28)16-7-6-8-17(13-16)32(29,30)26-12-11-23-21(27)15-26/h4-10,13,19H,11-12,14-15H2,1-3H3,(H,23,27)(H,24,28)