diethyl-[(1S)-1-phenyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]ethyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-3-25(4-2)22(19-10-6-5-7-11-19)18-24-23(27)20-12-14-21(15-13-20)30(28,29)26-16-8-9-17-26/h5-7,10-15,22H,3-4,8-9,16-18H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1