[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium Openeye Name: [(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]-[[4-(1-piperidylsulfonyl)phenyl]methyl]ammonium CAS Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[[4-(1-piperidinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl]-(4-piperidinosulfonylbenzyl)ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-17(22(26)24-20-8-4-5-9-21(20)29-2)23-16-18-10-12-19(13-11-18)30(27,28)25-14-6-3-7-15-25/h4-5,8-13,17,23H,3,6-7,14-16H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1