ethyl 4-[4-[(3-nitrophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3-nitrophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(3-nitrophenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(3-nitroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-nitrophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(3-nitrophenyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-2-31-21(26)16-6-8-19(9-7-16)32(29,30)23-12-10-15(11-13-23)20(25)22-17-4-3-5-18(14-17)24(27)28/h3-9,14-15H,2,10-13H2,1H3,(H,22,25)