N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide CAS Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide Traditional Name: N-benzyl-N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]benzenesulfonamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-22-18-25(20-26(19-22)33-17-16-29-24-12-14-28-15-13-24)30(21-23-8-4-2-5-9-23)34(31,32)27-10-6-3-7-11-27/h2-15,18-20H,16-17,21H2,1H3,(H,28,29)