N-[3-[methyl-(phenylmethyl)amino]propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-25(16-18-7-3-2-4-8-18)13-6-11-24-22(28)19-9-5-10-20(15-19)31(29,30)26-14-12-23-21(27)17-26/h2-5,7-10,15H,6,11-14,16-17H2,1H3,(H,23,27)(H,24,28)