2-methoxy-N-(2-pyrrolidin-1-ylethyl)-5-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]benzenesulfonamide

Systemtic Name: 2-methoxy-N-(2-pyrrolidin-1-ylethyl)-5-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]benzenesulfonamide Openeye Name: 2-methoxy-N-(2-pyrrolidin-1-ylethyl)-5-[4-[(3-thienylmethylamino)methyl]phenyl]benzenesulfonamide CAS Name: 2-methoxy-N-[2-(1-pyrrolidinyl)ethyl]-5-[4-[(3-thiophenylmethylamino)methyl]phenyl]benzenesulfonamide IUPAC Name: 2-methoxy-N-(2-pyrrolidin-1-ylethyl)-5-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]benzenesulfonamide Traditional Name: 2-methoxy-N-(2-pyrrolidinoethyl)-5-[4-[(3-thenylamino)methyl]phenyl]benzenesulfonamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)CNCC3=CSC=C3)S(=O)(=O)NCCN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)CNCC3=CSC=C3)S(=O)(=O)NCCN4CCCC4

InChI

InChI=1S/C25H31N3O3S2/c1-31-24-9-8-23(16-25(24)33(29,30)27-11-14-28-12-2-3-13-28)22-6-4-20(5-7-22)17-26-18-21-10-15-32-19-21/h4-10,15-16,19,26-27H,2-3,11-14,17-18H2,1H3