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

Systemtic Name: tert-butyl N-[4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H24ClN3O5S2/c1-20(2,3)29-19(26)22-15-6-4-14(5-7-15)18(25)23-10-12-24(13-11-23)31(27,28)17-9-8-16(21)30-17/h4-9H,10-13H2,1-3H3,(H,22,26)