N-[3-(diethylamino)propyl]-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-[3-(diethylamino)propyl]-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-[3-(diethylamino)propyl]-2-(3-thienylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[3-(diethylamino)propyl]-2-(3-thiophenylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-[3-(diethylamino)propyl]-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-[3-(diethylamino)propyl]-2-(3-thenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNS(=O)(=O)C1=CC2=C(CCN(C2)CC3=CSC=C3)C=C1

Isomeric SMILES

CCN(CC)CCCNS(=O)(=O)C1=CC2=C(CCN(C2)CC3=CSC=C3)C=C1

InChI

InChI=1S/C21H31N3O2S2/c1-3-23(4-2)11-5-10-22-28(25,26)21-7-6-19-8-12-24(16-20(19)14-21)15-18-9-13-27-17-18/h6-7,9,13-14,17,22H,3-5,8,10-12,15-16H2,1-2H3