3-(octadecylamino)-4-[4-(phenylsulfonyl)phenoxy]phenol

Systemtic Name: 3-(octadecylamino)-4-[4-(phenylsulfonyl)phenoxy]phenol Openeye Name: 4-[4-(benzenesulfonyl)phenoxy]-3-(octadecylamino)phenol CAS Name: 4-[4-(benzenesulfonyl)phenoxy]-3-(octadecylamino)phenol IUPAC Name: 4-[4-(benzenesulfonyl)phenoxy]-3-(octadecylamino)phenol Traditional Name: 4-(4-besylphenoxy)-3-(stearylamino)phenol Formula: C36H51NO4S MolecularWeight: 593.85944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C=CC(=C1)O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C=CC(=C1)O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C36H51NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-37-35-30-31(38)23-28-36(35)41-32-24-26-34(27-25-32)42(39,40)33-21-18-17-19-22-33/h17-19,21-28,30,37-38H,2-16,20,29H2,1H3