naphthalen-2-yl (2S)-6-azanyl-2-[(4-methylphenyl)sulfonylamino]hexanoate hydrobromide

Systemtic Name: naphthalen-2-yl (2S)-6-azanyl-2-[(4-methylphenyl)sulfonylamino]hexanoate hydrobromide Openeye Name: 2-naphthyl (2S)-6-amino-2-(p-tolylsulfonylamino)hexanoate hydrobromide CAS Name: (2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoic acid 2-naphthalenyl ester hydrobromide IUPAC Name: naphthalen-2-yl (2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoate hydrobromide Traditional Name: (2S)-6-amino-2-(tosylamino)hexanoic acid 2-naphthyl ester hydrobromide Formula: C23H27BrN2O4S MolecularWeight: 507.44048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)OC2=CC3=CC=CC=C3C=C2.Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)OC2=CC3=CC=CC=C3C=C2.Br

InChI

InChI=1S/C23H26N2O4S.BrH/c1-17-9-13-21(14-10-17)30(27,28)25-22(8-4-5-15-24)23(26)29-20-12-11-18-6-2-3-7-19(18)16-20;/h2-3,6-7,9-14,16,22,25H,4-5,8,15,24H2,1H3;1H/t22-;/m0./s1