tert-butyl N-[4-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]phenyl]carbamate CAS Name: N-[4-[2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]phenyl]carbamate Traditional Name: N-[4-[2-keto-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethyl]phenyl]carbamic acid tert-butyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O5S2/c1-16-5-10-20(31-16)32(28,29)25-13-11-24(12-14-25)19(26)15-17-6-8-18(9-7-17)23-21(27)30-22(2,3)4/h5-10H,11-15H2,1-4H3,(H,23,27)