4-[4-[(E)-2-[4-(icosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonylbutan-1-ol

Systemtic Name: 4-[4-[(E)-2-[4-(icosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonylbutan-1-ol Openeye Name: 4-[4-[(E)-2-[4-(1-ethyloctadecylamino)phenyl]vinyl]phenyl]sulfonylbutan-1-ol CAS Name: 4-[4-[(E)-2-[4-(eicosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonyl-1-butanol IUPAC Name: 4-[4-[(E)-2-[4-(icosan-3-ylamino)phenyl]ethenyl]phenyl]sulfonylbutan-1-ol Traditional Name: 4-[4-[(E)-2-[4-(1-ethyloctadecylamino)phenyl]vinyl]phenyl]sulfonylbutan-1-ol Formula: C38H61NO3S MolecularWeight: 611.96084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC)NC1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)CCCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC)NC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)S(=O)(=O)CCCCO

InChI

InChI=1S/C38H61NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36(4-2)39-37-28-24-34(25-29-37)22-23-35-26-30-38(31-27-35)43(41,42)33-20-19-32-40/h22-31,36,39-40H,3-21,32-33H2,1-2H3/b23-22+