3-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 3-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 3-[5-[(benzylamino)methyl]-2-methoxy-phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 3-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 3-[5-[(benzylamino)methyl]-2-methoxyphenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 3-[5-[(benzylamino)methyl]-2-methoxy-phenyl]-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)NCCN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)NCCN4CCCC4

InChI

InChI=1S/C27H33N3O3S/c1-33-27-13-12-23(21-28-20-22-8-3-2-4-9-22)18-26(27)24-10-7-11-25(19-24)34(31,32)29-14-17-30-15-5-6-16-30/h2-4,7-13,18-19,28-29H,5-6,14-17,20-21H2,1H3