(4-ethyl-5-propyl-thiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethyl-5-propyl-thiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-ethyl-5-propyl-2-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-ethyl-5-propyl-2-thiophenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-ethyl-5-propylthiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-ethyl-5-propyl-2-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C20H25N3O5S2/c1-3-6-18-15(4-2)13-19(29-18)20(24)21-9-11-22(12-10-21)30(27,28)17-8-5-7-16(14-17)23(25)26/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3