N-[1-(4-methylphenyl)propyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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