5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C22H22BrN5O4S MolecularWeight: 532.41018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN5O4S/c23-18-3-6-20(7-4-18)33(31,32)27-12-10-26(11-13-27)19-5-8-22(28(29)30)21(14-19)25-16-17-2-1-9-24-15-17/h1-9,14-15,25H,10-13,16H2