N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-[(2-nitrophenyl)amino]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O6S/c1-32-20-12-11-17(16-21(20)33(30,31)25-14-5-2-6-15-25)24-22(27)10-7-13-23-18-8-3-4-9-19(18)26(28)29/h3-4,8-9,11-12,16,23H,2,5-7,10,13-15H2,1H3,(H,24,27)