N,N-diethyl-3-[S-(4-nitrophenyl)-N-(phenylmethyl)sulfonimidoyl]propan-1-amine

Systemtic Name: N,N-diethyl-3-[S-(4-nitrophenyl)-N-(phenylmethyl)sulfonimidoyl]propan-1-amine Openeye Name: 3-[N-benzyl-S-(4-nitrophenyl)sulfonimidoyl]-N,N-diethyl-propan-1-amine CAS Name: N,N-diethyl-3-[S-(4-nitrophenyl)-N-(phenylmethyl)sulfonimidoyl]-1-propanamine IUPAC Name: 3-[N-benzyl-S-(4-nitrophenyl)sulfonimidoyl]-N,N-diethylpropan-1-amine Traditional Name: 3-[N-benzyl-S-(4-nitrophenyl)sulfonimidoyl]propyl-diethyl-amine Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCS(=NCC1=CC=CC=C1)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCS(=NCC1=CC=CC=C1)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-3-22(4-2)15-8-16-27(26,21-17-18-9-6-5-7-10-18)20-13-11-19(12-14-20)23(24)25/h5-7,9-14H,3-4,8,15-17H2,1-2H3