(2S)-4-(4-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane

Systemtic Name: (2S)-4-(4-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane Openeye Name: (2S)-2-phenyl-4-(p-tolylsulfonyl)-1,4-oxazepane CAS Name: (2S)-4-(4-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane IUPAC Name: (2S)-4-(4-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane Traditional Name: (2S)-2-phenyl-4-tosyl-1,4-oxazepane Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCOC(C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCO[C@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO3S/c1-15-8-10-17(11-9-15)23(20,21)19-12-5-13-22-18(14-19)16-6-3-2-4-7-16/h2-4,6-11,18H,5,12-14H2,1H3/t18-/m1/s1