N-(1-adamantyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(1-adamantyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(1-adamantyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(1-adamantyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]propionamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5S/c1-16(22(28)24-23-13-17-9-18(14-23)11-19(10-17)15-23)25-5-7-26(8-6-25)33(31,32)21-4-2-3-20(12-21)27(29)30/h2-4,12,16-19H,5-11,13-15H2,1H3,(H,24,28)