4-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S/c1-14(2)21-28(26,27)16-10-11-17(18(12-16)23(24)25)20-13-19(22(3)4)15-8-6-5-7-9-15/h5-12,14,19-21H,13H2,1-4H3/t19-/m1/s1