N-[(3-hydroxyphenyl)methyl]-4-propyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide

Systemtic Name: N-[(3-hydroxyphenyl)methyl]-4-propyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide Openeye Name: N-[(3-hydroxyphenyl)methyl]-4-propyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide CAS Name: N-[(3-hydroxyphenyl)methyl]-4-propyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-[(3-hydroxyphenyl)methyl]-4-propyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide Traditional Name: N-(3-hydroxybenzyl)-4-propyl-N-[4-(2-pyrrolidinoethoxy)phenyl]benzenesulfonamide Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)O)C3=CC=C(C=C3)OCCN4CCCC4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)O)C3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C28H34N2O4S/c1-2-6-23-9-15-28(16-10-23)35(32,33)30(22-24-7-5-8-26(31)21-24)25-11-13-27(14-12-25)34-20-19-29-17-3-4-18-29/h5,7-16,21,31H,2-4,6,17-20,22H2,1H3