[1-[(2-chloranyl-4-piperazin-1-ylsulfonyl-phenyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl] ethanoate

Systemtic Name: [1-[(2-chloranyl-4-piperazin-1-ylsulfonyl-phenyl)amino]-2-methyl-1-oxidanylidene-propan-2-yl] ethanoate Openeye Name: [2-(2-chloro-4-piperazin-1-ylsulfonyl-anilino)-1,1-dimethyl-2-oxo-ethyl] acetate CAS Name: acetic acid [1-[2-chloro-4-(1-piperazinylsulfonyl)anilino]-2-methyl-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-piperazin-1-ylsulfonylanilino)-2-methyl-1-oxopropan-2-yl] acetate Traditional Name: acetic acid [2-(2-chloro-4-piperazinosulfonyl-anilino)-2-keto-1,1-dimethyl-ethyl] ester Formula: C16H22ClN3O5S MolecularWeight: 403.88098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)Cl

Isomeric SMILES

CC(=O)OC(C)(C)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)Cl

InChI

InChI=1S/C16H22ClN3O5S/c1-11(21)25-16(2,3)15(22)19-14-5-4-12(10-13(14)17)26(23,24)20-8-6-18-7-9-20/h4-5,10,18H,6-9H2,1-3H3,(H,19,22)