2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)C

InChI

InChI=1S/C22H31N3O3S2/c1-16(2)25(17(3)4)13-11-23-22(26)21-20(10-14-29-21)30(27,28)24-12-9-18-7-5-6-8-19(18)15-24/h5-8,10,14,16-17H,9,11-13,15H2,1-4H3,(H,23,26)/p+1