2-morpholin-4-ylsulfonyl-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline

Systemtic Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline Openeye Name: 2-morpholinosulfonyl-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline CAS Name: 2-(4-morpholinylsulfonyl)-4-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]aniline IUPAC Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline Traditional Name: (2-morpholinosulfonyl-4-nitro-phenyl)-[3-[4-(2-pyrimidyl)piperazino]propyl]amine Formula: C21H29N7O5S MolecularWeight: 491.56386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=NC=CC=N4

InChI

InChI=1S/C21H29N7O5S/c29-28(30)18-3-4-19(20(17-18)34(31,32)27-13-15-33-16-14-27)22-7-2-8-25-9-11-26(12-10-25)21-23-5-1-6-24-21/h1,3-6,17,22H,2,7-16H2