3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O5S/c1-16-6-7-20(25(27)28)14-21(16)31(29,30)24-12-9-18(10-13-24)22(26)23-11-8-17-4-2-3-5-19(17)15-23/h2-7,14,18H,8-13,15H2,1H3