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

Systemtic Name: 2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c24-23(25)19-6-3-7-20(14-19)28(26,27)22-12-9-18(10-13-22)21-11-8-16-4-1-2-5-17(16)15-21/h1-7,14,18H,8-13,15H2