N,N-diethyl-3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-3-20(4-2)27(25,26)15-10-11-16(17(12-15)21(23)24)19-13-18(22)14-8-6-5-7-9-14/h5-12,18-19,22H,3-4,13H2,1-2H3/t18-/m1/s1