2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]pyrimidine Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4S/c1-16-5-9-25(10-6-16)31(29,30)17-3-4-18(19(15-17)26(27)28)23-11-13-24(14-12-23)20-21-7-2-8-22-20/h2-4,7-8,15-16H,5-6,9-14H2,1H3