[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O7S/c22-18-13-16(25(28)29)6-9-19(18)23-20(26)14-32-21(27)12-15-4-7-17(8-5-15)33(30,31)24-10-2-1-3-11-24/h4-9,13H,1-3,10-12,14H2,(H,23,26)