N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-14(18-12-16(29-2)7-8-19(18)30-3)23-21(26)15-5-4-6-17(11-15)31(27,28)24-10-9-22-20(25)13-24/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,25)(H,23,26)