6-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-propyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-propyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-propyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O4S2/c1-2-10-25-13-9-17-18(14-25)31-22(19(17)20(23)27)24-21(28)15-5-7-16(8-6-15)32(29,30)26-11-3-4-12-26/h5-8H,2-4,9-14H2,1H3,(H2,23,27)(H,24,28)/p+1