(Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-en-1-ol sulfamate

Systemtic Name: (Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-en-1-ol sulfamate Openeye Name: (Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-en-1-ol sulfamate CAS Name: (Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-3-buten-1-ol sulfamate IUPAC Name: (Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenylbut-3-en-1-ol sulfamate Traditional Name: (Z)-4-[4-(2-dimethylaminoethyloxy)phenyl]-3,4-diphenyl-but-3-en-1-ol sulfamate Formula: C26H31N2O5S- MolecularWeight: 483.59974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C(=C(CCO)C2=CC=CC=C2)C3=CC=CC=C3.NS(=O)(=O)[O-]

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCO)\C2=CC=CC=C2)/C3=CC=CC=C3.NS(=O)(=O)[O-]

InChI

InChI=1S/C26H29NO2.H3NO3S/c1-27(2)18-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-19-28)21-9-5-3-6-10-21;1-5(2,3)4/h3-16,28H,17-20H2,1-2H3;(H3,1,2,3,4)/p-1/b26-25-;