[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C25H30ClN3O6S MolecularWeight: 536.0402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4)Cl

InChI

InChI=1S/C25H30ClN3O6S/c1-18-5-7-22(21(26)15-18)27-24(30)17-35-25(31)20-16-19(36(32,33)29-9-3-2-4-10-29)6-8-23(20)28-11-13-34-14-12-28/h5-8,15-16H,2-4,9-14,17H2,1H3,(H,27,30)