5-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-(4-morpholinosulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-[4-(4-morpholinylsulfonyl)-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-morpholinosulfonylpiperazino)-2-nitro-phenyl]amine Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H27N5O5S/c27-26(28)21-7-6-19(16-20(21)22-17-18-4-2-1-3-5-18)23-8-10-24(11-9-23)32(29,30)25-12-14-31-15-13-25/h1-7,16,22H,8-15,17H2