1-(2-adamantyl)-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-adamantyl)-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(2-adamantyl)-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-(2-adamantyl)-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2-adamantyl)-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2-adamantyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4S/c24-23(25)18-2-1-3-19(13-18)28(26,27)22-6-4-21(5-7-22)20-16-9-14-8-15(11-16)12-17(20)10-14/h1-3,13-17,20H,4-12H2