[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c1-24(2,3)18-5-9-20(10-6-18)34(32,33)27-14-12-26(13-15-27)23(29)17-4-11-21(25-19-7-8-19)22(16-17)28(30)31/h4-6,9-11,16,19,25H,7-8,12-15H2,1-3H3