(3S,4R)-2,2-dimethyl-4-[(3-methylphenyl)sulfonylamino]-3-oxidanyl-N-phenethyl-3,4-dihydrochromene-6-carboxamide

Systemtic Name: (3S,4R)-2,2-dimethyl-4-[(3-methylphenyl)sulfonylamino]-3-oxidanyl-N-phenethyl-3,4-dihydrochromene-6-carboxamide Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(m-tolylsulfonylamino)-N-phenethyl-chromane-6-carboxamide CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-methylphenyl)sulfonylamino]-N-phenethyl-3,4-dihydro-2H-1-benzopyran-6-carboxamide IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-methylphenyl)sulfonylamino]-N-phenethyl-3,4-dihydrochromene-6-carboxamide Traditional Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(m-tolylsulfonylamino)-N-phenethyl-chroman-6-carboxamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)NCCC4=CC=CC=C4)(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C(=O)NCCC4=CC=CC=C4)(C)C)O

InChI

InChI=1S/C27H30N2O5S/c1-18-8-7-11-21(16-18)35(32,33)29-24-22-17-20(12-13-23(22)34-27(2,3)25(24)30)26(31)28-15-14-19-9-5-4-6-10-19/h4-13,16-17,24-25,29-30H,14-15H2,1-3H3,(H,28,31)/t24-,25+/m1/s1