N-(2-morpholin-4-ylethyl)-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: N-(2-morpholin-4-ylethyl)-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholinoethyl)-2-nitro-aniline CAS Name: N-[2-(4-morpholinyl)ethyl]-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-(2-morpholinoethyl)amine Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O5S/c29-28(30)23-7-6-21(18-22(23)24-8-9-25-14-16-33-17-15-25)26-10-12-27(13-11-26)34(31,32)19-20-4-2-1-3-5-20/h1-7,18,24H,8-17,19H2