[(1R)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[3-[(4-ethoxyphenyl)sulfonylamino]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(1R)-1-phenyl-2-[3-(p-phenetylsulfonylamino)propanoylamino]ethyl]ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC[C@@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C21H29N3O4S/c1-4-28-18-10-12-19(13-11-18)29(26,27)23-15-14-21(25)22-16-20(24(2)3)17-8-6-5-7-9-17/h5-13,20,23H,4,14-16H2,1-3H3,(H,22,25)/p+1/t20-/m0/s1