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

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[(5-methyl-2-furyl)methyl]-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: methyl-[(5-methyl-2-furanyl)methyl]-[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(5-methylfuran-2-yl)methyl]-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-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)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC=C(O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC=C(O3)C

InChI

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