4-[4-(2-chloranyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-chloranyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-chloro-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(2-chloro-5-nitrophenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(2-chloro-5-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(2-chloro-5-nitro-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C18H21ClN6O4S MolecularWeight: 452.91514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN6O4S/c19-15-4-3-14(25(26)27)11-16(15)30(28,29)24-9-7-23(8-10-24)18-12-17(20-13-21-18)22-5-1-2-6-22/h3-4,11-13H,1-2,5-10H2