3-nitro-4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[[5-(1-piperidylsulfonyl)-2-thienyl]methylamino]benzonitrile CAS Name: 3-nitro-4-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methylamino]benzonitrile IUPAC Name: 3-nitro-4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]benzonitrile Traditional Name: 3-nitro-4-[(5-piperidinosulfonyl-2-thienyl)methylamino]benzonitrile Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c18-11-13-4-6-15(16(10-13)21(22)23)19-12-14-5-7-17(26-14)27(24,25)20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9,12H2