4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2Cl)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CC=C2Cl)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O4S/c1-19-27(25,26)12-8-9-15(16(10-12)22(23)24)20-11-17(21(2)3)13-6-4-5-7-14(13)18/h4-10,17,19-20H,11H2,1-3H3/t17-/m1/s1