2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C27H31N4O4S2+ MolecularWeight: 539.68944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H30N4O4S2/c1-17(2)30-13-12-22-23(16-30)36-27(24(22)25(28)32)29-26(33)19-7-9-21(10-8-19)37(34,35)31-14-11-18-5-3-4-6-20(18)15-31/h3-10,17H,11-16H2,1-2H3,(H2,28,32)(H,29,33)/p+1