4-(2-aminophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2-aminophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(2-aminophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(2-aminophenyl)thio]-N-(1-ethynylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-aminophenyl)sulfanyl-N-(1-ethynylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(2-aminophenyl)thio]-N-(1-ethynylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3N)[N+](=O)[O-]

Isomeric SMILES

C#CC1(CCCCC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S2/c1-2-20(12-6-3-7-13-20)22-29(26,27)15-10-11-19(17(14-15)23(24)25)28-18-9-5-4-8-16(18)21/h1,4-5,8-11,14,22H,3,6-7,12-13,21H2