N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-3-phenyl-2-(p-tolylsulfonylamino)propanamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-3-phenyl-2-(tosylamino)propionamide Formula: C28H27ClN2O6S MolecularWeight: 555.04178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)O1)Cl

InChI

InChI=1S/C28H27ClN2O6S/c1-3-15-36-28-25(29)22-14-11-20(17-23(22)27(33)37-28)30-26(32)24(16-19-7-5-4-6-8-19)31-38(34,35)21-12-9-18(2)10-13-21/h4-14,17,24,31H,3,15-16H2,1-2H3,(H,30,32)