2-methyl-4-[3-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 2-methyl-4-[3-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-[3-[(benzylamino)methyl]phenyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 2-methyl-4-[3-[[(phenylmethyl)amino]methyl]phenyl]-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-[3-[(benzylamino)methyl]phenyl]-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-[3-[(benzylamino)methyl]phenyl]-2-methyl-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=CC=C2)CNCC3=CC=CC=C3)S(=O)(=O)NCCN4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=CC=C2)CNCC3=CC=CC=C3)S(=O)(=O)NCCN4CCCC4

InChI

InChI=1S/C27H33N3O2S/c1-22-18-26(12-13-27(22)33(31,32)29-14-17-30-15-5-6-16-30)25-11-7-10-24(19-25)21-28-20-23-8-3-2-4-9-23/h2-4,7-13,18-19,28-29H,5-6,14-17,20-21H2,1H3