(4-tert-butylcyclohexyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-tert-butylcyclohexyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-tert-butylcyclohexyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-tert-butylcyclohexyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-tert-butylcyclohexyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-tert-butylcyclohexyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O5S/c1-21(2,3)17-10-8-16(9-11-17)20(25)22-12-14-23(15-13-22)30(28,29)19-7-5-4-6-18(19)24(26)27/h4-7,16-17H,8-15H2,1-3H3