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

Systemtic Name: 2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C22H23N5O4S MolecularWeight: 453.51412

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c28-27(29)22-9-8-19(15-21(22)24-17-18-5-4-10-23-16-18)25-11-13-26(14-12-25)32(30,31)20-6-2-1-3-7-20/h1-10,15-16,24H,11-14,17H2