furan-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: 2-furylmethyl-[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-furanylmethyl-methyl-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-p-cumenylsulfonylpiperazino)ethyl]-methyl-ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S/c1-17(2)18-6-8-20(9-7-18)29(26,27)24-12-10-23(11-13-24)21(25)16-22(3)15-19-5-4-14-28-19/h4-9,14,17H,10-13,15-16H2,1-3H3/p+1