N-(2-morpholin-4-ylethyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-(2-morpholin-4-ylethyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-morpholinoethyl)-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-morpholinyl)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-(2-morpholinoethyl)amine Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O5S/c28-27(29)22-7-6-19(18-21(22)23-8-9-24-14-16-32-17-15-24)25-10-12-26(13-11-25)33(30,31)20-4-2-1-3-5-20/h1-7,18,23H,8-17H2