3-chloranyl-4-cyano-N-[4-[3-(3-methylphenyl)sulfonylpent-1-en-2-ylamino]-2-oxidanyl-phenyl]benzamide

Systemtic Name: 3-chloranyl-4-cyano-N-[4-[3-(3-methylphenyl)sulfonylpent-1-en-2-ylamino]-2-oxidanyl-phenyl]benzamide Openeye Name: 3-chloro-4-cyano-N-[2-hydroxy-4-[[1-methanidylidene-2-(m-tolylsulfonyl)butyl]amino]phenyl]benzamide CAS Name: 3-chloro-4-cyano-N-[2-hydroxy-4-[3-(3-methylphenyl)sulfonylpent-1-en-2-ylamino]phenyl]benzamide IUPAC Name: 3-chloro-4-cyano-N-[2-hydroxy-4-[3-(3-methylphenyl)sulfonylpent-1-en-2-ylamino]phenyl]benzamide Traditional Name: 3-chloro-4-cyano-N-[2-hydroxy-4-[1-[1-(m-tolylsulfonyl)propyl]vinylamino]phenyl]benzamide Formula: C26H23ClN3O4S- MolecularWeight: 508.99652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=[CH-])NC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C#N)Cl)O)S(=O)(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=[CH-])NC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C#N)Cl)O)S(=O)(=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C26H23ClN3O4S/c1-4-25(35(33,34)21-7-5-6-16(2)12-21)17(3)29-20-10-11-23(24(31)14-20)30-26(32)18-8-9-19(15-28)22(27)13-18/h3,5-14,25,29,31H,4H2,1-2H3,(H,30,32)/q-1