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

Systemtic Name: cycloheptyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: cycloheptyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: cycloheptyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: cycloheptyl-[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]C3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]C3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-16(21-17-8-4-2-3-5-9-17)20(24)22-18-10-12-19(13-11-18)27(25,26)23-14-6-7-15-23/h10-13,16-17,21H,2-9,14-15H2,1H3,(H,22,24)/p+1/t16-/m1/s1