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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNS(=O)(=O)C1=CC2=C(CCN(C2)CC3=CC=CS3)C=C1

Isomeric SMILES

CCN(CC)CCCNS(=O)(=O)C1=CC2=C(CCN(C2)CC3=CC=CS3)C=C1

InChI

InChI=1S/C21H31N3O2S2/c1-3-23(4-2)12-6-11-22-28(25,26)21-9-8-18-10-13-24(16-19(18)15-21)17-20-7-5-14-27-20/h5,7-9,14-15,22H,3-4,6,10-13,16-17H2,1-2H3