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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCN2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-15-7-8-18(13-19(15)22(23)24)27(25,26)20-10-4-11-21-12-9-16-5-2-3-6-17(16)14-21/h2-3,5-8,13,20H,4,9-12,14H2,1H3