methyl-[(5-methylfuran-2-yl)methyl]-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(O2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(O2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O4S/c1-16-7-9-18(13-20(16)29(26,27)24-11-5-4-6-12-24)22-21(25)15-23(3)14-19-10-8-17(2)28-19/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,22,25)/p+1