tert-butyl 4-[6-methoxy-5-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-oxidanylidene-hex-2-ynyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methoxy-5-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-oxidanylidene-hex-2-ynyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-methoxy-5-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-oxo-hex-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[6-methoxy-5-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-oxohex-2-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methoxy-5-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-oxohex-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[6-keto-6-methoxy-5-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC#CCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC#CCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H37N3O7S/c1-29(2,3)39-28(34)32-20-18-31(19-21-32)17-7-6-8-26(27(33)38-5)30-40(35,36)25-15-11-23(12-16-25)22-9-13-24(37-4)14-10-22/h9-16,26,30H,8,17-21H2,1-5H3