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

Systemtic Name: 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H25N4O4S2+ MolecularWeight: 449.5669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-23-11-8-15-16(12-23)29-20(17(15)18(21)25)22-19(26)13-4-6-14(7-5-13)30(27,28)24-9-2-3-10-24/h4-7H,2-3,8-12H2,1H3,(H2,21,25)(H,22,26)/p+1