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

Systemtic Name: N-(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: N-(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)-3-phenyl-2-(p-tolylsulfonylamino)propanamide CAS Name: N-(4-chloro-3-methoxy-1-oxo-2-benzopyran-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: N-(4-chloro-3-methoxy-1-oxoisochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: N-(4-chloro-1-keto-3-methoxy-isochromen-7-yl)-3-phenyl-2-(tosylamino)propionamide Formula: C26H23ClN2O6S MolecularWeight: 526.98862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OC)Cl

InChI

InChI=1S/C26H23ClN2O6S/c1-16-8-11-19(12-9-16)36(32,33)29-22(14-17-6-4-3-5-7-17)24(30)28-18-10-13-20-21(15-18)25(31)35-26(34-2)23(20)27/h3-13,15,22,29H,14H2,1-2H3,(H,28,30)