N-(1,3-benzodioxol-5-yl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(1,3-benzodioxol-5-yl)methanesulfonamide Formula: C27H30N3O5S+ MolecularWeight: 508.6092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O5S/c1-36(32,33)30(23-12-13-24-25(18-23)35-20-34-24)19-26(31)28-14-16-29(17-15-28)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,27H,14-17,19-20H2,1H3/p+1