6-ethyl-2-[(2-methylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-ethyl-2-[(2-methylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-[(2-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-[(2-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-[(2-mesylbenzoyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C18H22N3O4S2+ MolecularWeight: 408.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C18H21N3O4S2/c1-3-21-9-8-11-13(10-21)26-18(15(11)16(19)22)20-17(23)12-6-4-5-7-14(12)27(2,24)25/h4-7H,3,8-10H2,1-2H3,(H2,19,22)(H,20,23)/p+1