N-(4-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(4-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(4-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(4-tert-butylphenyl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(4-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (4-tert-butylphenyl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-21(2,3)16-5-7-17(8-6-16)22-19-10-9-18(15-20(19)25(26)27)30(28,29)24-13-11-23(4)12-14-24/h5-10,15,22H,11-14H2,1-4H3