(3S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H28N2O6S/c1-24(16-17-9-5-6-10-19(17)22(27)32-24)23(28)25-20-15-18(11-12-21(20)31-2)33(29,30)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,25,28)/t24-/m0/s1