(4-ethyl-5-propyl-thiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethyl-5-propyl-thiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(4-ethyl-5-propyl-2-thienyl)methanone CAS Name: (4-ethyl-5-propyl-2-thiophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(4-ethyl-5-propyl-2-thienyl)methanone Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC

InChI

InChI=1S/C21H28N2O3S2/c1-3-8-19-18(4-2)15-20(27-19)21(24)22-11-13-23(14-12-22)28(25,26)16-17-9-6-5-7-10-17/h5-7,9-10,15H,3-4,8,11-14,16H2,1-2H3