N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]naphthalene-2-sulfonamide Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S2/c1-16-5-4-12-24(15-16)33(30,31)20-10-11-21(22(14-20)25(26)27)23-32(28,29)19-9-8-17-6-2-3-7-18(17)13-19/h2-3,6-11,13-14,16,23H,4-5,12,15H2,1H3/t16-/m0/s1