N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(4-nitroanilino)butanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(4-nitroanilino)butanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-(4-nitroanilino)butyramide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N4O6S/c1-2-32-20-12-9-18(16-21(20)33(30,31)25-14-3-4-15-25)24-22(27)6-5-13-23-17-7-10-19(11-8-17)26(28)29/h7-12,16,23H,2-6,13-15H2,1H3,(H,24,27)