N-[4-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(2-adamantylamino)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(2-adamantylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(2-adamantylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C28H35N5O5S MolecularWeight: 553.673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H35N5O5S/c1-18(34)29-23-2-5-25(6-3-23)39(37,38)32-10-8-31(9-11-32)24-4-7-27(33(35)36)26(17-24)30-28-21-13-19-12-20(15-21)16-22(28)14-19/h2-7,17,19-22,28,30H,8-16H2,1H3,(H,29,34)