N-tert-butyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(1-ethyl-4-piperidin-1-iumyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-3-nitro-benzenesulfonamide Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O4S/c1-5-20-10-8-13(9-11-20)18-15-7-6-14(12-16(15)21(22)23)26(24,25)19-17(2,3)4/h6-7,12-13,18-19H,5,8-11H2,1-4H3/p+1