2-azanyl-N-(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)-N-(4-methylphenyl)sulfonyl-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)-N-(4-methylphenyl)sulfonyl-3-phenyl-propanamide Openeye Name: 2-amino-N-(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)-3-phenyl-N-(p-tolylsulfonyl)propanamide CAS Name: 2-amino-N-(4-chloro-3-methoxy-1-oxo-2-benzopyran-7-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide IUPAC Name: 2-amino-N-(4-chloro-3-methoxy-1-oxoisochromen-7-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide Traditional Name: 2-amino-N-(4-chloro-1-keto-3-methoxy-isochromen-7-yl)-3-phenyl-N-tosyl-propionamide Formula: C26H23ClN2O6S MolecularWeight: 526.98862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)C(=C(OC3=O)OC)Cl)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)C(=C(OC3=O)OC)Cl)C(=O)C(CC4=CC=CC=C4)N

InChI

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