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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-14(13-27-2)20-28(25,26)17-7-8-18(19(11-17)22(23)24)21-10-9-15-5-3-4-6-16(15)12-21/h3-8,11,14,20H,9-10,12-13H2,1-2H3/t14-/m0/s1