(2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-1,4-diazepane

Systemtic Name: (2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-1,4-diazepane Openeye Name: (2S,3R)-2-ethyl-3-phenyl-1-(p-tolylsulfonyl)-1,4-diazepane CAS Name: (2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-1,4-diazepane IUPAC Name: (2S,3R)-2-ethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-1,4-diazepane Traditional Name: (2S,3R)-2-ethyl-3-phenyl-1-tosyl-1,4-diazepane Formula: C20H26N2O2S MolecularWeight: 358.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NCCCN1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H]1[C@H](NCCCN1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-3-19-20(17-8-5-4-6-9-17)21-14-7-15-22(19)25(23,24)18-12-10-16(2)11-13-18/h4-6,8-13,19-21H,3,7,14-15H2,1-2H3/t19-,20+/m0/s1