4-[[(S)-cyclopropyl(phenyl)methyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(S)-cyclopropyl(phenyl)methyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(S)-cyclopropyl(phenyl)methyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(S)-cyclopropyl(phenyl)methyl]amino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(S)-cyclopropyl(phenyl)methyl]amino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(S)-cyclopropyl(phenyl)methyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N[C@@H](C2CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-3-22(4-2)28(26,27)17-12-13-18(19(14-17)23(24)25)21-20(16-10-11-16)15-8-6-5-7-9-15/h5-9,12-14,16,20-21H,3-4,10-11H2,1-2H3/t20-/m1/s1