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

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

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