diethyl-[(4S)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[(2-methyl-5-nitrophenyl)sulfonylamino]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[(2-methyl-5-nitrophenyl)sulfonylamino]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[(2-methyl-5-nitro-phenyl)sulfonylamino]pentyl]ammonium Formula: C16H28N3O4S+ MolecularWeight: 358.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C16H27N3O4S/c1-5-18(6-2)11-7-8-14(4)17-24(22,23)16-12-15(19(20)21)10-9-13(16)3/h9-10,12,14,17H,5-8,11H2,1-4H3/p+1/t14-/m0/s1