4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[(1S,2S)-2-methylcyclohexyl]amino]-3-nitro-benzenesulfonamide Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-11(2)18-24(22,23)13-8-9-15(16(10-13)19(20)21)17-14-7-5-4-6-12(14)3/h8-12,14,17-18H,4-7H2,1-3H3/t12-,14-/m0/s1