4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(m-tolyl)pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(3-methylphenyl)pyrimidine Traditional Name: 5-benzyl-4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-6-methyl-2-(m-tolyl)pyrimidine Formula: C29H28ClN5O4S MolecularWeight: 578.08172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])CC5=CC=CC=C5)C

InChI

InChI=1S/C29H28ClN5O4S/c1-20-7-6-10-23(17-20)28-31-21(2)25(18-22-8-4-3-5-9-22)29(32-28)33-13-15-34(16-14-33)40(38,39)24-11-12-26(30)27(19-24)35(36)37/h3-12,17,19H,13-16,18H2,1-2H3