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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O4S2/c1-16-6-7-20(25(26)27)12-22(16)31(28,29)23-13-21(19-9-11-30-15-19)24-10-8-17-4-2-3-5-18(17)14-24/h2-7,9,11-12,15,21,23H,8,10,13-14H2,1H3