(1S)-1-[nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (1S)-1-[nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: (1S)-1-[benzenesulfonyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline CAS Name: (1S)-1-[benzenesulfonyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (1S)-1-[benzenesulfonyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline Traditional Name: (1S)-1-[besyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)[C-]([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN[C@@H](C2=CC=CC=C21)[C-]([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N2O4S/c19-18(20)16(23(21,22)13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-9,15,17H,10-11H2/q-1/t15-/m0/s1