N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-(ethylamino)-3-nitro-benzamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-(ethylamino)-3-nitro-benzamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-4-(ethylamino)-3-nitro-benzamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-4-(ethylamino)-3-nitrobenzamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-4-(ethylamino)-3-nitro-benzamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-3-23-18-10-8-16(14-19(18)26(28)29)22(27)24-17-9-11-20(32-4-2)21(15-17)33(30,31)25-12-6-5-7-13-25/h8-11,14-15,23H,3-7,12-13H2,1-2H3,(H,24,27)