[(1S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4S/c1-25(2)20(16-7-6-8-18(13-16)30-3)15-24-22(27)17-9-10-19(23)21(14-17)31(28,29)26-11-4-5-12-26/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,27)/p+1/t20-/m1/s1