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

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-6-ethyl-2-methyl-pyrimidine Formula: C24H25Cl2N5O4S MolecularWeight: 550.4574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H25Cl2N5O4S/c1-3-22-20(14-17-4-6-18(25)7-5-17)24(28-16(2)27-22)29-10-12-30(13-11-29)36(34,35)19-8-9-21(26)23(15-19)31(32)33/h4-9,15H,3,10-14H2,1-2H3