4-bromanyl-2-ethyl-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-2-ethyl-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide Openeye Name: 4-bromo-2-ethyl-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide CAS Name: 4-bromo-2-ethyl-N-[(4-hydroxyphenyl)methyl]-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-2-ethyl-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide Traditional Name: 4-bromo-2-ethyl-N-(4-hydroxybenzyl)-N-[4-(2-pyrrolidinoethoxy)phenyl]benzenesulfonamide Formula: C27H31BrN2O4S MolecularWeight: 559.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C27H31BrN2O4S/c1-2-22-19-23(28)7-14-27(22)35(32,33)30(20-21-5-10-25(31)11-6-21)24-8-12-26(13-9-24)34-18-17-29-15-3-4-16-29/h5-14,19,31H,2-4,15-18,20H2,1H3