N-[5-chloranyl-4-[2-(3-chloranyl-4-methyl-phenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-1-methyl-isoquinoline-4-carboxamide

Systemtic Name: N-[5-chloranyl-4-[2-(3-chloranyl-4-methyl-phenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]-1-methyl-isoquinoline-4-carboxamide Openeye Name: N-[5-chloro-4-[2-(3-chloro-4-methyl-phenyl)sulfonylbutanoylamino]-2-hydroxy-phenyl]-1-methyl-isoquinoline-4-carboxamide CAS Name: N-[5-chloro-4-[[2-(3-chloro-4-methylphenyl)sulfonyl-1-oxobutyl]amino]-2-hydroxyphenyl]-1-methyl-4-isoquinolinecarboxamide IUPAC Name: N-[5-chloro-4-[2-(3-chloro-4-methylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-1-methylisoquinoline-4-carboxamide Traditional Name: N-[5-chloro-4-[2-(3-chloro-4-methyl-phenyl)sulfonylbutanoylamino]-2-hydroxy-phenyl]-1-methyl-isoquinoline-4-carboxamide Formula: C28H25Cl2N3O5S MolecularWeight: 586.4862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CN=C(C3=CC=CC=C32)C)O)S(=O)(=O)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CN=C(C3=CC=CC=C32)C)O)S(=O)(=O)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C28H25Cl2N3O5S/c1-4-26(39(37,38)17-10-9-15(2)21(29)11-17)28(36)32-23-13-25(34)24(12-22(23)30)33-27(35)20-14-31-16(3)18-7-5-6-8-19(18)20/h5-14,26,34H,4H2,1-3H3,(H,32,36)(H,33,35)