tert-butyl N-[3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-15-8-9-18(30-15)31(27,28)24-12-10-23(11-13-24)19(25)16-6-5-7-17(14-16)22-20(26)29-21(2,3)4/h5-9,14H,10-13H2,1-4H3,(H,22,26)