cyclooctyl-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cyclooctyl-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cyclooctyl-[(1R)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[(2R)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium Traditional Name: cyclooctyl-[(1R)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl]ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH2+]C3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-17(22-18-8-5-3-2-4-6-9-18)21(25)23-19-10-7-11-20(16-19)29(26,27)24-12-14-28-15-13-24/h7,10-11,16-18,22H,2-6,8-9,12-15H2,1H3,(H,23,25)/p+1/t17-/m1/s1