4-[[(5S)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]benzenesulfonamide

Systemtic Name: 4-[[(5S)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]carbonyl]benzenesulfonamide Openeye Name: 4-[(5S)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]benzenesulfonamide CAS Name: 4-[oxo-[(5S)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-[(5S)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]benzenesulfonamide Traditional Name: 4-[(5S)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decane-3-carbonyl]benzenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N)C[NH+](C1)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@]2(CCN(C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N)C[NH+](C1)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c24-30(28,29)21-9-7-20(8-10-21)22(27)26-16-13-23(18-26)12-4-14-25(17-23)15-11-19-5-2-1-3-6-19/h1-3,5-10H,4,11-18H2,(H2,24,28,29)/p+1/t23-/m1/s1