2-azanyl-2-[2-[4-[5-(3-methylphenyl)sulfanylnaphthalen-1-yl]phenyl]ethyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[2-[4-[5-(3-methylphenyl)sulfanylnaphthalen-1-yl]phenyl]ethyl]propane-1,3-diol Openeye Name: 2-amino-2-[2-[4-[5-(m-tolylsulfanyl)-1-naphthyl]phenyl]ethyl]propane-1,3-diol CAS Name: 2-amino-2-[2-[4-[5-[(3-methylphenyl)thio]-1-naphthalenyl]phenyl]ethyl]propane-1,3-diol IUPAC Name: 2-amino-2-[2-[4-[5-(3-methylphenyl)sulfanylnaphthalen-1-yl]phenyl]ethyl]propane-1,3-diol Traditional Name: 2-amino-2-[2-[4-[5-(m-tolylthio)-1-naphthyl]phenyl]ethyl]propane-1,3-diol Formula: C28H29NO2S MolecularWeight: 443.60036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=CC=CC3=C2C=CC=C3C4=CC=C(C=C4)CCC(CO)(CO)N

Isomeric SMILES

CC1=CC(=CC=C1)SC2=CC=CC3=C2C=CC=C3C4=CC=C(C=C4)CCC(CO)(CO)N

InChI

InChI=1S/C28H29NO2S/c1-20-5-2-6-23(17-20)32-27-10-4-8-25-24(7-3-9-26(25)27)22-13-11-21(12-14-22)15-16-28(29,18-30)19-31/h2-14,17,30-31H,15-16,18-19,29H2,1H3