ethyl N-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: ethyl N-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: ethyl N-[3-oxo-3-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propyl]carbamate CAS Name: N-[3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-[4-(4-sec-butylphenyl)sulfonylpiperazino]propyl]carbamic acid ethyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)OCC

InChI

InChI=1S/C20H31N3O5S/c1-4-16(3)17-6-8-18(9-7-17)29(26,27)23-14-12-22(13-15-23)19(24)10-11-21-20(25)28-5-2/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,25)