4-[2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenyl]morpholine

Systemtic Name: 4-[2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]phenyl]morpholine Openeye Name: 4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-phenyl]morpholine CAS Name: 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine IUPAC Name: 4-[5-(4-benzylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine Traditional Name: 4-[5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]morpholine Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O5S/c26-25(27)20-7-6-19(16-21(20)23-12-14-30-15-13-23)22-8-10-24(11-9-22)31(28,29)17-18-4-2-1-3-5-18/h1-7,16H,8-15,17H2