N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-(3-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-(3-methylphenyl)sulfonyl-butanamide Openeye Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]-2-(m-tolylsulfonyl)butanamide CAS Name: N-[2-chloro-4-[[(4-cyanoanilino)-oxomethyl]amino]-5-hydroxyphenyl]-2-(3-methylphenyl)sulfonylbutanamide IUPAC Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]-2-(3-methylphenyl)sulfonylbutanamide Traditional Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]-2-(m-tolylsulfonyl)butyramide Formula: C25H23ClN4O5S MolecularWeight: 526.99192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=C(C=C2)C#N)O)S(=O)(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=C(C=C2)C#N)O)S(=O)(=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C25H23ClN4O5S/c1-3-23(36(34,35)18-6-4-5-15(2)11-18)24(32)29-20-13-22(31)21(12-19(20)26)30-25(33)28-17-9-7-16(14-27)8-10-17/h4-13,23,31H,3H2,1-2H3,(H,29,32)(H2,28,30,33)