2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C19H24N6O4S/c1-15-20-18(22-7-2-3-8-22)14-19(21-15)23-9-11-24(12-10-23)30(28,29)17-6-4-5-16(13-17)25(26)27/h4-6,13-14H,2-3,7-12H2,1H3