N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)N(C)C

InChI

InChI=1S/C23H30N4O4S/c1-4-17-8-10-18(11-9-17)21(26(2)3)15-25-23(29)19-6-5-7-20(14-19)32(30,31)27-13-12-24-22(28)16-27/h5-11,14,21H,4,12-13,15-16H2,1-3H3,(H,24,28)(H,25,29)