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

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]ethyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O3S/c1-23(2)16-20(17-8-4-3-5-9-17)22-21(25)18-10-12-19(13-11-18)28(26,27)24-14-6-7-15-24/h3-5,8-13,20H,6-7,14-16H2,1-2H3,(H,22,25)/p+1/t20-/m1/s1