2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-5-nitro-benzonitrile Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-21(2,3)17-4-7-19(8-5-17)30(28,29)24-12-10-23(11-13-24)20-9-6-18(25(26)27)14-16(20)15-22/h4-9,14H,10-13H2,1-3H3