N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1-pyrazin-2-yl-piperidine-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-(2-pyrazinyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1-pyrazin-2-yl-nipecotamide Formula: C19H24N6O5S MolecularWeight: 448.49606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCCN(C2)C3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CCCN(C2)C3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O5S/c1-31(29,30)15-4-5-16(17(11-15)25(27)28)21-8-9-23-19(26)14-3-2-10-24(13-14)18-12-20-6-7-22-18/h4-7,11-12,14,21H,2-3,8-10,13H2,1H3,(H,23,26)