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

Systemtic Name: (5-methyl-4-propyl-thiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-methyl-4-propyl-2-thienyl)methanone CAS Name: (5-methyl-4-propyl-2-thiophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-methyl-4-propyl-2-thienyl)methanone Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N2O3S2/c1-3-7-18-14-19(26-16(18)2)20(23)21-10-12-22(13-11-21)27(24,25)15-17-8-5-4-6-9-17/h4-6,8-9,14H,3,7,10-13,15H2,1-2H3