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

Systemtic Name: 5-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide Openeye Name: 5-[5-[(benzylamino)methyl]-2-methoxy-phenyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide CAS Name: 5-[2-methoxy-5-[[(phenylmethyl)amino]methyl]phenyl]-N-[2-(1-pyrrolidinyl)ethyl]-2-thiophenesulfonamide IUPAC Name: 5-[5-[(benzylamino)methyl]-2-methoxyphenyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide Traditional Name: 5-[5-[(benzylamino)methyl]-2-methoxy-phenyl]-N-(2-pyrrolidinoethyl)thiophene-2-sulfonamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC=C(S3)S(=O)(=O)NCCN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC=CC=C2)C3=CC=C(S3)S(=O)(=O)NCCN4CCCC4

InChI

InChI=1S/C25H31N3O3S2/c1-31-23-10-9-21(19-26-18-20-7-3-2-4-8-20)17-22(23)24-11-12-25(32-24)33(29,30)27-13-16-28-14-5-6-15-28/h2-4,7-12,17,26-27H,5-6,13-16,18-19H2,1H3