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

Systemtic Name: 4-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CS2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4S2/c1-12(2)19-27(24,25)13-7-8-14(15(10-13)21(22)23)18-11-16(20(3)4)17-6-5-9-26-17/h5-10,12,16,18-19H,11H2,1-4H3/t16-/m1/s1