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

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl] ester Formula: C23H27ClN4O6S MolecularWeight: 523.00168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=C(C=C(C=C4)Cl)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC(=O)C4=C(C=C(C=C4)Cl)N

InChI

InChI=1S/C23H27ClN4O6S/c24-16-3-5-18(19(25)13-16)23(30)34-15-22(29)26-20-14-17(4-6-21(20)27-7-1-2-8-27)35(31,32)28-9-11-33-12-10-28/h3-6,13-14H,1-2,7-12,15,25H2,(H,26,29)