N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-nitro-benzenesulfonamide CAS Name: N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-nitrobenzenesulfonamide Traditional Name: N-[[1-[4-(2-hydroxyethyl)benzyl]cyclopentyl]methyl]-3-nitro-benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=CC=C(C=C2)CCO)CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)(CC2=CC=C(C=C2)CCO)CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c24-13-10-17-6-8-18(9-7-17)15-21(11-1-2-12-21)16-22-29(27,28)20-5-3-4-19(14-20)23(25)26/h3-9,14,22,24H,1-2,10-13,15-16H2