2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(3-oxo-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(3-oxopiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-[4-(3-ketopiperazino)phenyl]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)N2CCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)N2CCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5O4S/c1-24(30(28,29)18-8-2-15(12-21)3-9-18)13-20(27)23-16-4-6-17(7-5-16)25-11-10-22-19(26)14-25/h2-9H,10-11,13-14H2,1H3,(H,22,26)(H,23,27)