5-(4-methylphenyl)sulfonyl-5a,6,7,8,9,9a-hexahydro-2H-1,5-benzoxazepine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-5a,6,7,8,9,9a-hexahydro-2H-1,5-benzoxazepine Openeye Name: 5-(p-tolylsulfonyl)-5a,6,7,8,9,9a-hexahydro-2H-1,5-benzoxazepine CAS Name: 5-(4-methylphenyl)sulfonyl-5a,6,7,8,9,9a-hexahydro-2H-1,5-benzoxazepine IUPAC Name: 5-(4-methylphenyl)sulfonyl-5a,6,7,8,9,9a-hexahydro-2H-1,5-benzoxazepine Traditional Name: 5-tosyl-5a,6,7,8,9,9a-hexahydro-2H-1,5-benzoxazepine Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CCOC3C2CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CCOC3C2CCCC3

InChI

InChI=1S/C16H21NO3S/c1-13-7-9-14(10-8-13)21(18,19)17-11-4-12-20-16-6-3-2-5-15(16)17/h4,7-11,15-16H,2-3,5-6,12H2,1H3