cyclooctyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: cyclooctyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: cyclooctyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: cyclooctyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: cyclooctyl-[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]C3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-17(22-18-9-5-3-2-4-6-10-18)21(25)23-19-11-13-20(14-12-19)28(26,27)24-15-7-8-16-24/h11-14,17-18,22H,2-10,15-16H2,1H3,(H,23,25)/p+1/t17-/m1/s1