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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C24H33N4O4S2+ MolecularWeight: 505.67322

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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)N4CCCCCC4

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N4O4S2/c1-16(2)27-14-11-19-20(15-27)33-24(21(19)22(25)29)26-23(30)17-7-9-18(10-8-17)34(31,32)28-12-5-3-4-6-13-28/h7-10,16H,3-6,11-15H2,1-2H3,(H2,25,29)(H,26,30)/p+1