methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-(2-phenoxyethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-18(24(2)16-17-29-20-8-4-3-5-9-20)22(26)23-19-10-12-21(13-11-19)30(27,28)25-14-6-7-15-25/h3-5,8-13,18H,6-7,14-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1