[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 5-morpholinosulfonyl-2-(1-piperidyl)benzoate CAS Name: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate Traditional Name: 5-morpholinosulfonyl-2-piperidino-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H30ClN3O6S MolecularWeight: 536.0402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OCC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H30ClN3O6S/c26-22-7-3-2-6-19(22)17-27-24(30)18-35-25(31)21-16-20(36(32,33)29-12-14-34-15-13-29)8-9-23(21)28-10-4-1-5-11-28/h2-3,6-9,16H,1,4-5,10-15,17-18H2,(H,27,30)