2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrobenzenesulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

InChI=1S/C20H23N3O5S/c1-13(2)20(24)22-9-8-15-5-6-17(10-16(15)12-22)21-29(27,28)19-11-18(23(25)26)7-4-14(19)3/h4-7,10-11,13,21H,8-9,12H2,1-3H3