dimethyl-[(1S)-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-(2-nitro-4-pyrrolidinosulfonyl-anilino)-1-phenyl-ethyl]ammonium Formula: C20H27N4O4S+ MolecularWeight: 419.51778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-22(2)20(16-8-4-3-5-9-16)15-21-18-11-10-17(14-19(18)24(25)26)29(27,28)23-12-6-7-13-23/h3-5,8-11,14,20-21H,6-7,12-13,15H2,1-2H3/p+1/t20-/m1/s1