(3S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,4-benzoxazocine

Systemtic Name: (3S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,4-benzoxazocine Openeye Name: (3S)-3-methyl-4-(p-tolylsulfonyl)-2,3,5,6-tetrahydro-1,4-benzoxazocine CAS Name: (3S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,4-benzoxazocine IUPAC Name: (3S)-3-methyl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,4-benzoxazocine Traditional Name: (3S)-3-methyl-4-tosyl-2,3,5,6-tetrahydro-1,4-benzoxazocine Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=CC=CC=C2CCN1S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1COC2=CC=CC=C2CCN1S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H21NO3S/c1-14-7-9-17(10-8-14)23(20,21)19-12-11-16-5-3-4-6-18(16)22-13-15(19)2/h3-10,15H,11-13H2,1-2H3/t15-/m0/s1