N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furyl)ethyl]-4-nitro-benzenesulfonamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H21N3O5S/c25-24(26)18-7-9-19(10-8-18)30(27,28)22-14-20(21-6-3-13-29-21)23-12-11-16-4-1-2-5-17(16)15-23/h1-10,13,20,22H,11-12,14-15H2/t20-/m0/s1