2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-nitro-4-piperidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c24-23(25)20-14-18(28(26,27)22-11-4-1-5-12-22)8-9-19(20)21-13-10-16-6-2-3-7-17(16)15-21/h2-3,6-9,14H,1,4-5,10-13,15H2