N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-3-(2-nitroanilino)propionamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O6S/c1-2-32-20-11-10-17(16-21(20)33(30,31)25-14-6-3-7-15-25)24-22(27)12-13-23-18-8-4-5-9-19(18)26(28)29/h4-5,8-11,16,23H,2-3,6-7,12-15H2,1H3,(H,24,27)