diethyl-[(2S)-4-methyl-1-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]pentan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-4-methyl-1-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]pentan-2-yl]azanium Openeye Name: diethyl-[(1S)-3-methyl-1-[(4-morpholinosulfonyl-2-nitro-anilino)methyl]butyl]ammonium CAS Name: diethyl-[(2S)-4-methyl-1-[4-(4-morpholinylsulfonyl)-2-nitroanilino]pentan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-4-methyl-1-(4-morpholin-4-ylsulfonyl-2-nitroanilino)pentan-2-yl]azanium Traditional Name: diethyl-[(1S)-3-methyl-1-[(4-morpholinosulfonyl-2-nitro-anilino)methyl]butyl]ammonium Formula: C20H35N4O5S+ MolecularWeight: 443.5807

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC(C)C)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC(C)C)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H34N4O5S/c1-5-22(6-2)17(13-16(3)4)15-21-19-8-7-18(14-20(19)24(25)26)30(27,28)23-9-11-29-12-10-23/h7-8,14,16-17,21H,5-6,9-13,15H2,1-4H3/p+1/t17-/m0/s1