(3S)-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-[(4-sulfamoylphenyl)methyl]-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(4-sulfamoylbenzyl)piperidin-1-ium-3-sulfonamide Formula: C12H20N3O4S2+ MolecularWeight: 334.4349

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H19N3O4S2/c13-20(16,17)11-5-3-10(4-6-11)8-15-21(18,19)12-2-1-7-14-9-12/h3-6,12,14-15H,1-2,7-9H2,(H2,13,16,17)/p+1/t12-/m0/s1