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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

InChI

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