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

Systemtic Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C22H21Cl2N5O4S MolecularWeight: 522.40424

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N5O4S/c23-19-5-4-18(13-20(19)24)34(32,33)28-10-8-27(9-11-28)17-3-6-22(29(30)31)21(12-17)26-15-16-2-1-7-25-14-16/h1-7,12-14,26H,8-11,15H2