2-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-1-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methyl-1-[1-(2-nitrophenyl)sulfonyl-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methyl-1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-methyl-1-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC=CC=C2C1C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=CC=CC=C2C1C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-22-13-10-16-6-2-3-7-18(16)21(22)17-11-14-23(15-12-17)29(27,28)20-9-5-4-8-19(20)24(25)26/h2-9,17,21H,10-15H2,1H3